5-chloro-3-(2-ethylphenyl)-1H-1,2,4-triazole

C10H10ClN3 — CID 84675722

IUPAC5-chloro-3-(2-ethylphenyl)-1H-1,2,4-triazole
SMILESCCc1ccccc1-c1n[nH]c(Cl)n1
InChIInChI=1S/C10H10ClN3/c1-2-7-5-3-4-6-8(7)9-12-10(11)14-13-9/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyBTSSUYJHWCGTFC-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.69
Rot. Bonds2

About 5-chloro-3-(2-ethylphenyl)-1H-1,2,4-triazole

5-chloro-3-(2-ethylphenyl)-1H-1,2,4-triazole (PubChem CID 84675722) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 5-chloro-3-(2-ethylphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-chloro-3-(2-ethylphenyl)-1H-1,2,4-triazole
PubChem CID84675722
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name5-chloro-3-(2-ethylphenyl)-1H-1,2,4-triazole
SMILESCCc1ccccc1-c1n[nH]c(Cl)n1
InChIInChI=1S/C10H10ClN3/c1-2-7-5-3-4-6-8(7)9-12-10(11)14-13-9/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyBTSSUYJHWCGTFC-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63613349
4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline
CID 114590401
2-chloro-6-(2-ethylphenyl)pyridine-3-carbonitrile
CID 84703537
5-chloro-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole
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3-(2-bromophenyl)-5-ethyl-1H-1,2,4-triazole
CID 61276916
5-bromo-4-chloro-2-(2-ethylphenyl)-8-methylquinazoline
CID 114591241
5-(3-ethyl-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole
CID 67608486
3-(4-bromo-2-methylphenyl)-5-chloro-1H-1,2,4-triazole
CID 103084158
1,2-dichloro-4-(2-ethylphenyl)benzene
CID 67818201
2-(2-ethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62391586

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-ethylphenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-chloro-3-(2-ethylphenyl)-1H-1,2,4-triazole (CID 84675722) is 5-chloro-3-(2-ethylphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-chloro-3-(2-ethylphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-chloro-3-(2-ethylphenyl)-1H-1,2,4-triazole is CCc1ccccc1-c1n[nH]c(Cl)n1.
What is the InChIKey of 5-chloro-3-(2-ethylphenyl)-1H-1,2,4-triazole?
The InChIKey is BTSSUYJHWCGTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-2-7-5-3-4-6-8(7)9-12-10(11)14-13-9/h3-6H,2H2,1H3,(H,12,13,14).
What are the key properties of 5-chloro-3-(2-ethylphenyl)-1H-1,2,4-triazole?
5-chloro-3-(2-ethylphenyl)-1H-1,2,4-triazole has a molecular weight of 207.66 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-ethylphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 84675722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).