N-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide

C13H12N6O — CID 18152599

IUPACN-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2cnn(-c3ccccc3)n2)n1
InChIInChI=1S/C13H12N6O/c1-18-8-7-12(17-18)15-13(20)11-9-14-19(16-11)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,17,20)
InChIKeyQAADTZKDSRKXJX-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.25
Rot. Bonds3

About N-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide

N-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide (PubChem CID 18152599) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide
PubChem CID18152599
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC NameN-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2cnn(-c3ccccc3)n2)n1
InChIInChI=1S/C13H12N6O/c1-18-8-7-12(17-18)15-13(20)11-9-14-19(16-11)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,17,20)
InChIKeyQAADTZKDSRKXJX-UHFFFAOYSA-N
XLogP1.25
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide (CID 18152599) is N-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide is Cn1ccc(NC(=O)c2cnn(-c3ccccc3)n2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide?
The InChIKey is QAADTZKDSRKXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-18-8-7-12(17-18)15-13(20)11-9-14-19(16-11)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,17,20).
What are the key properties of N-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide?
N-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 18152599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).