A1H0S

4,4,7,8-tetramethyl-10~{H}-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

Created:	2023-12-18
Last modified:	2024-11-20

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2 entries where A1H0S is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	6

2D diagram of A1H0S

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Chemical Component Summary
Name	4,4,7,8-tetramethyl-10~{H}-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
Systematic Name (OpenEye OEToolkits)	4,4,7,8-tetramethyl-10~{H}-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
Formula	C₁₃ H₁₇ N₅
Molecular Weight	243.308
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1cc2NC3=NC(=NC(C)(C)N3c2cc1C)N
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc2c(cc1C)N3C(=NC(=NC3(C)C)N)N2
Canonical SMILES	CACTVS	3.385	Cc1cc2NC3=NC(=NC(C)(C)N3c2cc1C)N
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc2c(cc1C)N3C(=NC(=NC3(C)C)N)N2
InChI	InChI	1.06	InChI=1S/C13H17N5/c1-7-5-9-10(6-8(7)2)18-12(15-9)16-11(14)17-13(18,3)4/h5-6H,1-4H3,(H3,14,15,16,17)
InChIKey	InChI	1.06	LEFFLPPLRAOVAW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5358721, 321677
ChEMBL	CHEMBL185800

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.