3-chloro-4-cyclopropyl-5-phenyl-1,2,4-triazole

C11H10ClN3 — CID 39869866

IUPAC3-chloro-4-cyclopropyl-5-phenyl-1,2,4-triazole
SMILESClc1nnc(-c2ccccc2)n1C1CC1
InChIInChI=1S/C11H10ClN3/c12-11-14-13-10(15(11)9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyGDXCJGLPQJTZMQ-UHFFFAOYSA-N
MW219.68 g/mol
LogP2.93
Rot. Bonds2

About 3-chloro-4-cyclopropyl-5-phenyl-1,2,4-triazole

3-chloro-4-cyclopropyl-5-phenyl-1,2,4-triazole (PubChem CID 39869866) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is 3-chloro-4-cyclopropyl-5-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-cyclopropyl-5-phenyl-1,2,4-triazole
PubChem CID39869866
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name3-chloro-4-cyclopropyl-5-phenyl-1,2,4-triazole
SMILESClc1nnc(-c2ccccc2)n1C1CC1
InChIInChI=1S/C11H10ClN3/c12-11-14-13-10(15(11)9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyGDXCJGLPQJTZMQ-UHFFFAOYSA-N
XLogP2.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyclopropyl-5-phenyl-1,2,4-triazole?
The IUPAC name of 3-chloro-4-cyclopropyl-5-phenyl-1,2,4-triazole (CID 39869866) is 3-chloro-4-cyclopropyl-5-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-cyclopropyl-5-phenyl-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-cyclopropyl-5-phenyl-1,2,4-triazole is Clc1nnc(-c2ccccc2)n1C1CC1.
What is the InChIKey of 3-chloro-4-cyclopropyl-5-phenyl-1,2,4-triazole?
The InChIKey is GDXCJGLPQJTZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c12-11-14-13-10(15(11)9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 3-chloro-4-cyclopropyl-5-phenyl-1,2,4-triazole?
3-chloro-4-cyclopropyl-5-phenyl-1,2,4-triazole has a molecular weight of 219.68 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyclopropyl-5-phenyl-1,2,4-triazole is sourced from PubChem (CID 39869866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).