N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclopropanecarboxamide

C14H16N4O — CID 2738925

IUPACN-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclopropanecarboxamide
SMILESCc1nn(-c2ccccc2)nc1CNC(=O)C1CC1
InChIInChI=1S/C14H16N4O/c1-10-13(9-15-14(19)11-7-8-11)17-18(16-10)12-5-3-2-4-6-12/h2-6,11H,7-9H2,1H3,(H,15,19)
InChIKeyYPILRFRXRZYMRD-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.60
Rot. Bonds4

About N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclopropanecarboxamide

N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclopropanecarboxamide (PubChem CID 2738925) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclopropanecarboxamide
PubChem CID2738925
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclopropanecarboxamide
SMILESCc1nn(-c2ccccc2)nc1CNC(=O)C1CC1
InChIInChI=1S/C14H16N4O/c1-10-13(9-15-14(19)11-7-8-11)17-18(16-10)12-5-3-2-4-6-12/h2-6,11H,7-9H2,1H3,(H,15,19)
InChIKeyYPILRFRXRZYMRD-UHFFFAOYSA-N
XLogP1.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclopropanecarboxamide 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-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclopropanecarboxamide (CID 2738925) is N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclopropanecarboxamide is Cc1nn(-c2ccccc2)nc1CNC(=O)C1CC1.
What is the InChIKey of N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclopropanecarboxamide?
The InChIKey is YPILRFRXRZYMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-13(9-15-14(19)11-7-8-11)17-18(16-10)12-5-3-2-4-6-12/h2-6,11H,7-9H2,1H3,(H,15,19).
What are the key properties of N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclopropanecarboxamide?
N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclopropanecarboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 2738925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).