3-chloro-5-cyclopropyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole

C14H16ClN3 — CID 63385046

IUPAC3-chloro-5-cyclopropyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole
SMILESCc1cccc(CCn2c(Cl)nnc2C2CC2)c1
InChIInChI=1S/C14H16ClN3/c1-10-3-2-4-11(9-10)7-8-18-13(12-5-6-12)16-17-14(18)15/h2-4,9,12H,5-8H2,1H3
InChIKeyZPAHMIJDEKCNQG-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.36
Rot. Bonds4

About 3-chloro-5-cyclopropyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole

3-chloro-5-cyclopropyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole (PubChem CID 63385046) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole
PubChem CID63385046
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name3-chloro-5-cyclopropyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole
SMILESCc1cccc(CCn2c(Cl)nnc2C2CC2)c1
InChIInChI=1S/C14H16ClN3/c1-10-3-2-4-11(9-10)7-8-18-13(12-5-6-12)16-17-14(18)15/h2-4,9,12H,5-8H2,1H3
InChIKeyZPAHMIJDEKCNQG-UHFFFAOYSA-N
XLogP3.36
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-cyclopropyl-4-[2-(3-methylphenyl)ethyl]-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

Related Compounds

3-chloro-5-cyclopropyl-4-(2-phenylethyl)-1,2,4-triazole
CID 55184754
3-chloro-5-methyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole
CID 63385719
3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole
CID 63384392
2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 10020675
3-chloro-5-ethyl-4-[(3-methylphenyl)methyl]-1,2,4-triazole
CID 63385767
3-cyclopropyl-4-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-5-one
CID 50956393
4-chloro-2-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]benzimidazole
CID 104838039
3-chloro-5-cyclopropyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole
CID 63385744
1-[(4-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzimidazole
CID 10342628
6-chloro-5-fluoro-3-[2-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione
CID 113404659
1,2,3-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142758902
5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 62314662

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole?
The IUPAC name of 3-chloro-5-cyclopropyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole (CID 63385046) is 3-chloro-5-cyclopropyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-cyclopropyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-cyclopropyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole is Cc1cccc(CCn2c(Cl)nnc2C2CC2)c1.
What is the InChIKey of 3-chloro-5-cyclopropyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole?
The InChIKey is ZPAHMIJDEKCNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10-3-2-4-11(9-10)7-8-18-13(12-5-6-12)16-17-14(18)15/h2-4,9,12H,5-8H2,1H3.
What are the key properties of 3-chloro-5-cyclopropyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole?
3-chloro-5-cyclopropyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole has a molecular weight of 261.76 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole is sourced from PubChem (CID 63385046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).