N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide

C10H8N8O — CID 47367692

IUPACN-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1cn[nH]n1
InChIInChI=1S/C10H8N8O/c19-10(9-5-11-15-14-9)13-7-2-1-3-8(4-7)18-6-12-16-17-18/h1-6H,(H,13,19)(H,11,14,15)
InChIKeyCVFRIXMKZHVKLA-UHFFFAOYSA-N
MW256.23 g/mol
LogP0.03
Rot. Bonds3

About N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide

N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 47367692) has the molecular formula C10H8N8O and a molecular weight of 256.23 g/mol. Its IUPAC name is N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide
PubChem CID47367692
Molecular FormulaC10H8N8O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC NameN-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1cn[nH]n1
InChIInChI=1S/C10H8N8O/c19-10(9-5-11-15-14-9)13-7-2-1-3-8(4-7)18-6-12-16-17-18/h1-6H,(H,13,19)(H,11,14,15)
InChIKeyCVFRIXMKZHVKLA-UHFFFAOYSA-N
XLogP0.03
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733239
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822
1-benzyl-N-[3-(tetrazol-1-yl)phenyl]triazole-4-carboxamide
CID 24627598
5-hydroxy-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 63860092
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 32696269
2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 47418203
3-chloro-2,2-dimethyl-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 63679217
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
2-(2,6-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7692890

Frequently Asked Questions

What is the IUPAC name of N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide (CID 47367692) is N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide is O=C(Nc1cccc(-n2cnnn2)c1)c1cn[nH]n1.
What is the InChIKey of N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is CVFRIXMKZHVKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N8O/c19-10(9-5-11-15-14-9)13-7-2-1-3-8(4-7)18-6-12-16-17-18/h1-6H,(H,13,19)(H,11,14,15).
What are the key properties of N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide?
N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 256.23 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 47367692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).