2-phenyltriazole-4-carboxamide

C9H8N4O — CID 4661683

IUPAC2-phenyltriazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C9H8N4O/c10-9(14)8-6-11-13(12-8)7-4-2-1-3-5-7/h1-6H,(H2,10,14)
InChIKeyUFDGZTMECBCNGA-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.37
Rot. Bonds2

About 2-phenyltriazole-4-carboxamide

2-phenyltriazole-4-carboxamide (PubChem CID 4661683) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyltriazole-4-carboxamide
PubChem CID4661683
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name2-phenyltriazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C9H8N4O/c10-9(14)8-6-11-13(12-8)7-4-2-1-3-5-7/h1-6H,(H2,10,14)
InChIKeyUFDGZTMECBCNGA-UHFFFAOYSA-N
XLogP0.37
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyltriazole-4-carboxamide?
The IUPAC name of 2-phenyltriazole-4-carboxamide (CID 4661683) is 2-phenyltriazole-4-carboxamide.
What is the SMILES notation for 2-phenyltriazole-4-carboxamide?
The canonical SMILES for 2-phenyltriazole-4-carboxamide is NC(=O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-phenyltriazole-4-carboxamide?
The InChIKey is UFDGZTMECBCNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c10-9(14)8-6-11-13(12-8)7-4-2-1-3-5-7/h1-6H,(H2,10,14).
What are the key properties of 2-phenyltriazole-4-carboxamide?
2-phenyltriazole-4-carboxamide has a molecular weight of 188.19 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 4661683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).