2-(3-chloro-4-ethylphenyl)triazole

C10H10ClN3 — CID 123159734

IUPAC2-(3-chloro-4-ethylphenyl)triazole
SMILESCCc1ccc(-n2nccn2)cc1Cl
InChIInChI=1S/C10H10ClN3/c1-2-8-3-4-9(7-10(8)11)14-12-5-6-13-14/h3-7H,2H2,1H3
InChIKeyWCCQBVHGIRKARR-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.48
Rot. Bonds2

About 2-(3-chloro-4-ethylphenyl)triazole

2-(3-chloro-4-ethylphenyl)triazole (PubChem CID 123159734) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-(3-chloro-4-ethylphenyl)triazole.

Molecular Properties

Compound Name2-(3-chloro-4-ethylphenyl)triazole
PubChem CID123159734
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name2-(3-chloro-4-ethylphenyl)triazole
SMILESCCc1ccc(-n2nccn2)cc1Cl
InChIInChI=1S/C10H10ClN3/c1-2-8-3-4-9(7-10(8)11)14-12-5-6-13-14/h3-7H,2H2,1H3
InChIKeyWCCQBVHGIRKARR-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-ethylphenyl)triazole?
The IUPAC name of 2-(3-chloro-4-ethylphenyl)triazole (CID 123159734) is 2-(3-chloro-4-ethylphenyl)triazole.
What is the SMILES notation for 2-(3-chloro-4-ethylphenyl)triazole?
The canonical SMILES for 2-(3-chloro-4-ethylphenyl)triazole is CCc1ccc(-n2nccn2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-ethylphenyl)triazole?
The InChIKey is WCCQBVHGIRKARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-2-8-3-4-9(7-10(8)11)14-12-5-6-13-14/h3-7H,2H2,1H3.
What are the key properties of 2-(3-chloro-4-ethylphenyl)triazole?
2-(3-chloro-4-ethylphenyl)triazole has a molecular weight of 207.66 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-ethylphenyl)triazole is sourced from PubChem (CID 123159734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).