N-methyl-N-phenyltriazole-1-carboxamide

C10H10N4O — CID 46829226

IUPACN-methyl-N-phenyltriazole-1-carboxamide
SMILESCN(C(=O)n1ccnn1)c1ccccc1
InChIInChI=1S/C10H10N4O/c1-13(9-5-3-2-4-6-9)10(15)14-8-7-11-12-14/h2-8H,1H3
InChIKeyPSXYNJDIJNUTRP-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.38
Rot. Bonds1

About N-methyl-N-phenyltriazole-1-carboxamide

N-methyl-N-phenyltriazole-1-carboxamide (PubChem CID 46829226) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is N-methyl-N-phenyltriazole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyltriazole-1-carboxamide
PubChem CID46829226
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC NameN-methyl-N-phenyltriazole-1-carboxamide
SMILESCN(C(=O)n1ccnn1)c1ccccc1
InChIInChI=1S/C10H10N4O/c1-13(9-5-3-2-4-6-9)10(15)14-8-7-11-12-14/h2-8H,1H3
InChIKeyPSXYNJDIJNUTRP-UHFFFAOYSA-N
XLogP1.38
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-phenyltriazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyltriazole-1-carboxamide?
The IUPAC name of N-methyl-N-phenyltriazole-1-carboxamide (CID 46829226) is N-methyl-N-phenyltriazole-1-carboxamide.
What is the SMILES notation for N-methyl-N-phenyltriazole-1-carboxamide?
The canonical SMILES for N-methyl-N-phenyltriazole-1-carboxamide is CN(C(=O)n1ccnn1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyltriazole-1-carboxamide?
The InChIKey is PSXYNJDIJNUTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-13(9-5-3-2-4-6-9)10(15)14-8-7-11-12-14/h2-8H,1H3.
What are the key properties of N-methyl-N-phenyltriazole-1-carboxamide?
N-methyl-N-phenyltriazole-1-carboxamide has a molecular weight of 202.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyltriazole-1-carboxamide is sourced from PubChem (CID 46829226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).