5-methyl-2-phenyltriazole-4-carboxamide

C10H10N4O — CID 2774349

IUPAC5-methyl-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(N)=O
InChIInChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)
InChIKeyIHPOVUXVIZRYAC-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.67
Rot. Bonds2

About 5-methyl-2-phenyltriazole-4-carboxamide

5-methyl-2-phenyltriazole-4-carboxamide (PubChem CID 2774349) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 5-methyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-phenyltriazole-4-carboxamide
PubChem CID2774349
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name5-methyl-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(N)=O
InChIInChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)
InChIKeyIHPOVUXVIZRYAC-UHFFFAOYSA-N
XLogP0.67
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of 5-methyl-2-phenyltriazole-4-carboxamide (CID 2774349) is 5-methyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-phenyltriazole-4-carboxamide is Cc1nn(-c2ccccc2)nc1C(N)=O.
What is the InChIKey of 5-methyl-2-phenyltriazole-4-carboxamide?
The InChIKey is IHPOVUXVIZRYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15).
What are the key properties of 5-methyl-2-phenyltriazole-4-carboxamide?
5-methyl-2-phenyltriazole-4-carboxamide has a molecular weight of 202.22 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 2774349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).