1-(2-chlorophenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole

C13H14ClN3O — CID 50972287

IUPAC1-(2-chlorophenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole
SMILESCOCc1nc(C2CC2)nn1-c1ccccc1Cl
InChIInChI=1S/C13H14ClN3O/c1-18-8-12-15-13(9-6-7-9)16-17(12)11-5-3-2-4-10(11)14/h2-5,9H,6-8H2,1H3
InChIKeyZWEUITMBZVDBOO-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.94
Rot. Bonds4

About 1-(2-chlorophenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole

1-(2-chlorophenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole (PubChem CID 50972287) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole
PubChem CID50972287
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name1-(2-chlorophenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole
SMILESCOCc1nc(C2CC2)nn1-c1ccccc1Cl
InChIInChI=1S/C13H14ClN3O/c1-18-8-12-15-13(9-6-7-9)16-17(12)11-5-3-2-4-10(11)14/h2-5,9H,6-8H2,1H3
InChIKeyZWEUITMBZVDBOO-UHFFFAOYSA-N
XLogP2.94
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-chlorophenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole 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 1-(2-chlorophenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole?
The IUPAC name of 1-(2-chlorophenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole (CID 50972287) is 1-(2-chlorophenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2-chlorophenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole?
The canonical SMILES for 1-(2-chlorophenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole is COCc1nc(C2CC2)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole?
The InChIKey is ZWEUITMBZVDBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-18-8-12-15-13(9-6-7-9)16-17(12)11-5-3-2-4-10(11)14/h2-5,9H,6-8H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole?
1-(2-chlorophenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole has a molecular weight of 263.73 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole is sourced from PubChem (CID 50972287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).