5-amino-1-(1H-benzimidazol-2-ylmethyl)triazole-4-carboxamide

C11H11N7O — CID 129451130

IUPAC5-amino-1-(1H-benzimidazol-2-ylmethyl)triazole-4-carboxamide
SMILESNC(=O)c1nnn(Cc2nc3ccccc3[nH]2)c1N
InChIInChI=1S/C11H11N7O/c12-10-9(11(13)19)16-17-18(10)5-8-14-6-3-1-2-4-7(6)15-8/h1-4H,5,12H2,(H2,13,19)(H,14,15)
InChIKeyGZQBNWHIRXCCEI-UHFFFAOYSA-N
MW257.26 g/mol
LogP-0.12
Rot. Bonds3

About 5-amino-1-(1H-benzimidazol-2-ylmethyl)triazole-4-carboxamide

5-amino-1-(1H-benzimidazol-2-ylmethyl)triazole-4-carboxamide (PubChem CID 129451130) has the molecular formula C11H11N7O and a molecular weight of 257.26 g/mol. Its IUPAC name is 5-amino-1-(1H-benzimidazol-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(1H-benzimidazol-2-ylmethyl)triazole-4-carboxamide
PubChem CID129451130
Molecular FormulaC11H11N7O
Molecular Weight257.26 g/mol
Exact Mass257.10
IUPAC Name5-amino-1-(1H-benzimidazol-2-ylmethyl)triazole-4-carboxamide
SMILESNC(=O)c1nnn(Cc2nc3ccccc3[nH]2)c1N
InChIInChI=1S/C11H11N7O/c12-10-9(11(13)19)16-17-18(10)5-8-14-6-3-1-2-4-7(6)15-8/h1-4H,5,12H2,(H2,13,19)(H,14,15)
InChIKeyGZQBNWHIRXCCEI-UHFFFAOYSA-N
XLogP-0.12
TPSA128.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-[(2-iodophenyl)methyl]triazole-4-carboxamide
CID 138591938
5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 2815312
2-(1H-benzimidazol-2-yl)acetate
CID 6955878
2-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 173161796
1-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]-2,2,2-trifluoroethanone
CID 62580521
zinc;bis(1H-benzimidazol-2-ylmethanol);dinitrate;hydrate
CID 139071089
4-(1H-benzimidazol-2-ylmethoxy)benzamide
CID 142600756
1-(1H-benzimidazol-2-ylmethyl)imidazole-4-carboxylic acid
CID 71564696
1H-benzimidazol-2-ylmethanamine;hydrate
CID 23192500
5-methyl-1-[(3-oxo-4H-quinoxalin-2-yl)methyl]triazole-4-carboxylic acid
CID 62053696
1-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethanone;oxalic acid
CID 121074357
2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethanol
CID 62400589

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1H-benzimidazol-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-(1H-benzimidazol-2-ylmethyl)triazole-4-carboxamide (CID 129451130) is 5-amino-1-(1H-benzimidazol-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(1H-benzimidazol-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(1H-benzimidazol-2-ylmethyl)triazole-4-carboxamide is NC(=O)c1nnn(Cc2nc3ccccc3[nH]2)c1N.
What is the InChIKey of 5-amino-1-(1H-benzimidazol-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is GZQBNWHIRXCCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O/c12-10-9(11(13)19)16-17-18(10)5-8-14-6-3-1-2-4-7(6)15-8/h1-4H,5,12H2,(H2,13,19)(H,14,15).
What are the key properties of 5-amino-1-(1H-benzimidazol-2-ylmethyl)triazole-4-carboxamide?
5-amino-1-(1H-benzimidazol-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 257.26 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1H-benzimidazol-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 129451130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).