4-chloro-1-(cyclopropylmethyl)benzotriazole

C10H10ClN3 — CID 155518472

IUPAC4-chloro-1-(cyclopropylmethyl)benzotriazole
SMILESClc1cccc2c1nnn2CC1CC1
InChIInChI=1S/C10H10ClN3/c11-8-2-1-3-9-10(8)12-13-14(9)6-7-4-5-7/h1-3,7H,4-6H2
InChIKeyCTRBGGCEZRMSJW-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.49
Rot. Bonds2

About 4-chloro-1-(cyclopropylmethyl)benzotriazole

4-chloro-1-(cyclopropylmethyl)benzotriazole (PubChem CID 155518472) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 4-chloro-1-(cyclopropylmethyl)benzotriazole.

Molecular Properties

Compound Name4-chloro-1-(cyclopropylmethyl)benzotriazole
PubChem CID155518472
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name4-chloro-1-(cyclopropylmethyl)benzotriazole
SMILESClc1cccc2c1nnn2CC1CC1
InChIInChI=1S/C10H10ClN3/c11-8-2-1-3-9-10(8)12-13-14(9)6-7-4-5-7/h1-3,7H,4-6H2
InChIKeyCTRBGGCEZRMSJW-UHFFFAOYSA-N
XLogP2.49
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-1-(cyclopropylmethyl)benzotriazole 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 4-chloro-1-(cyclopropylmethyl)benzotriazole?
The IUPAC name of 4-chloro-1-(cyclopropylmethyl)benzotriazole (CID 155518472) is 4-chloro-1-(cyclopropylmethyl)benzotriazole.
What is the SMILES notation for 4-chloro-1-(cyclopropylmethyl)benzotriazole?
The canonical SMILES for 4-chloro-1-(cyclopropylmethyl)benzotriazole is Clc1cccc2c1nnn2CC1CC1.
What is the InChIKey of 4-chloro-1-(cyclopropylmethyl)benzotriazole?
The InChIKey is CTRBGGCEZRMSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c11-8-2-1-3-9-10(8)12-13-14(9)6-7-4-5-7/h1-3,7H,4-6H2.
What are the key properties of 4-chloro-1-(cyclopropylmethyl)benzotriazole?
4-chloro-1-(cyclopropylmethyl)benzotriazole has a molecular weight of 207.66 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(cyclopropylmethyl)benzotriazole is sourced from PubChem (CID 155518472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).