NVD

N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine

Created:	2019-05-28
Last modified:	2019-08-07

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6 entries where NVD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	11

2D diagram of NVD

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Chemical Component Summary
Name	N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine
Systematic Name (OpenEye OEToolkits)	~{N}-[[4-(dimethylamino)phenyl]methyl]-1,2,4-triazol-4-amine
Formula	C₁₁ H₁₅ N₅
Molecular Weight	217.27
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(C)(C)c2ccc(CNn1cnnc1)cc2
SMILES	CACTVS	3.385	CN(C)c1ccc(CNn2cnnc2)cc1
SMILES	OpenEye OEToolkits	2.0.6	CN(C)c1ccc(cc1)CNn2cnnc2
Canonical SMILES	CACTVS	3.385	CN(C)c1ccc(CNn2cnnc2)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CN(C)c1ccc(cc1)CNn2cnnc2
InChI	InChI	1.03	InChI=1S/C11H15N5/c1-15(2)11-5-3-10(4-6-11)7-14-16-8-12-13-9-16/h3-6,8-9,14H,7H2,1-2H3
InChIKey	InChI	1.03	ZPORTAACPUBAHX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	892578
ChEMBL	CHEMBL1562665

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