4-(2H-triazol-4-yl)benzamide

C9H8N4O — CID 67367142

IUPAC4-(2H-triazol-4-yl)benzamide
SMILESNC(=O)c1ccc(-c2cn[nH]n2)cc1
InChIInChI=1S/C9H8N4O/c10-9(14)7-3-1-6(2-4-7)8-5-11-13-12-8/h1-5H,(H2,10,14)(H,11,12,13)
InChIKeyYILLYZMSDPPBMO-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.57
Rot. Bonds2

About 4-(2H-triazol-4-yl)benzamide

4-(2H-triazol-4-yl)benzamide (PubChem CID 67367142) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-(2H-triazol-4-yl)benzamide.

Molecular Properties

Compound Name4-(2H-triazol-4-yl)benzamide
PubChem CID67367142
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name4-(2H-triazol-4-yl)benzamide
SMILESNC(=O)c1ccc(-c2cn[nH]n2)cc1
InChIInChI=1S/C9H8N4O/c10-9(14)7-3-1-6(2-4-7)8-5-11-13-12-8/h1-5H,(H2,10,14)(H,11,12,13)
InChIKeyYILLYZMSDPPBMO-UHFFFAOYSA-N
XLogP0.57
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-triazol-4-yl)benzamide?
The IUPAC name of 4-(2H-triazol-4-yl)benzamide (CID 67367142) is 4-(2H-triazol-4-yl)benzamide.
What is the SMILES notation for 4-(2H-triazol-4-yl)benzamide?
The canonical SMILES for 4-(2H-triazol-4-yl)benzamide is NC(=O)c1ccc(-c2cn[nH]n2)cc1.
What is the InChIKey of 4-(2H-triazol-4-yl)benzamide?
The InChIKey is YILLYZMSDPPBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c10-9(14)7-3-1-6(2-4-7)8-5-11-13-12-8/h1-5H,(H2,10,14)(H,11,12,13).
What are the key properties of 4-(2H-triazol-4-yl)benzamide?
4-(2H-triazol-4-yl)benzamide has a molecular weight of 188.19 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-triazol-4-yl)benzamide is sourced from PubChem (CID 67367142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).