3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide

C11H11N9O — CID 62808067

IUPAC3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2nc(N)n[nH]2)c1
InChIInChI=1S/C11H11N9O/c1-20-9(16-18-19-20)6-3-2-4-7(5-6)13-10(21)8-14-11(12)17-15-8/h2-5H,1H3,(H,13,21)(H3,12,14,15,17)
InChIKeyAYSKWQNQAUMZQH-UHFFFAOYSA-N
MW285.27 g/mol
LogP-0.17
Rot. Bonds3

About 3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62808067) has the molecular formula C11H11N9O and a molecular weight of 285.27 g/mol. Its IUPAC name is 3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62808067
Molecular FormulaC11H11N9O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2nc(N)n[nH]2)c1
InChIInChI=1S/C11H11N9O/c1-20-9(16-18-19-20)6-3-2-4-7(5-6)13-10(21)8-14-11(12)17-15-8/h2-5H,1H3,(H,13,21)(H3,12,14,15,17)
InChIKeyAYSKWQNQAUMZQH-UHFFFAOYSA-N
XLogP-0.17
TPSA140.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788208
N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733195
4-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688500
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
CID 62793864
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 30414116
2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 17422742
3-amino-N-[3-(2-methylpropanoylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807912
3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62806279
4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136517028
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 62808067) is 3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide is Cn1nnnc1-c1cccc(NC(=O)c2nc(N)n[nH]2)c1.
What is the InChIKey of 3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is AYSKWQNQAUMZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N9O/c1-20-9(16-18-19-20)6-3-2-4-7(5-6)13-10(21)8-14-11(12)17-15-8/h2-5H,1H3,(H,13,21)(H3,12,14,15,17).
What are the key properties of 3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 285.27 g/mol, XLogP of -0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62808067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).