1-(2-chloro-6-ethylphenyl)-1,2,4-triazol-3-amine

C10H11ClN4 — CID 125480920

IUPAC1-(2-chloro-6-ethylphenyl)-1,2,4-triazol-3-amine
SMILESCCc1cccc(Cl)c1-n1cnc(N)n1
InChIInChI=1S/C10H11ClN4/c1-2-7-4-3-5-8(11)9(7)15-6-13-10(12)14-15/h3-6H,2H2,1H3,(H2,12,14)
InChIKeyNEYNZVIJDKJYKT-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.07
Rot. Bonds2

About 1-(2-chloro-6-ethylphenyl)-1,2,4-triazol-3-amine

1-(2-chloro-6-ethylphenyl)-1,2,4-triazol-3-amine (PubChem CID 125480920) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 1-(2-chloro-6-ethylphenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(2-chloro-6-ethylphenyl)-1,2,4-triazol-3-amine
PubChem CID125480920
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name1-(2-chloro-6-ethylphenyl)-1,2,4-triazol-3-amine
SMILESCCc1cccc(Cl)c1-n1cnc(N)n1
InChIInChI=1S/C10H11ClN4/c1-2-7-4-3-5-8(11)9(7)15-6-13-10(12)14-15/h3-6H,2H2,1H3,(H2,12,14)
InChIKeyNEYNZVIJDKJYKT-UHFFFAOYSA-N
XLogP2.07
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-6-chlorobenzamide
CID 62496366
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5-(2-chlorophenyl)-3-ethylimidazol-4-amine
CID 62018842
2-(3-amino-1,2,4-triazol-1-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
CID 61113902
5-chloro-1-ethylquinazolin-4-one
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CID 64680255
1-[(2,3-dichlorophenyl)methyl]-4,5-dimethylimidazole
CID 107091792
2,6-diethylaniline;propane
CID 174429495
2,6-diethylaniline;iron(2+)
CID 175873065
1-[3-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]propan-2-amine
CID 114070170
1-[(2-chlorophenyl)methyl]imidazol-2-amine
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2-(7-chlorobenzimidazol-1-yl)ethanamine
CID 90908899

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-ethylphenyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(2-chloro-6-ethylphenyl)-1,2,4-triazol-3-amine (CID 125480920) is 1-(2-chloro-6-ethylphenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(2-chloro-6-ethylphenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(2-chloro-6-ethylphenyl)-1,2,4-triazol-3-amine is CCc1cccc(Cl)c1-n1cnc(N)n1.
What is the InChIKey of 1-(2-chloro-6-ethylphenyl)-1,2,4-triazol-3-amine?
The InChIKey is NEYNZVIJDKJYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-2-7-4-3-5-8(11)9(7)15-6-13-10(12)14-15/h3-6H,2H2,1H3,(H2,12,14).
What are the key properties of 1-(2-chloro-6-ethylphenyl)-1,2,4-triazol-3-amine?
1-(2-chloro-6-ethylphenyl)-1,2,4-triazol-3-amine has a molecular weight of 222.68 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-ethylphenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 125480920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).