4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine

C9H9ClN4 — CID 134086884

IUPAC4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine
SMILESCc1c(Cl)cccc1-n1cnnc1N
InChIInChI=1S/C9H9ClN4/c1-6-7(10)3-2-4-8(6)14-5-12-13-9(14)11/h2-5H,1H3,(H2,11,13)
InChIKeyAFCZTBORHIMCSU-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.81
Rot. Bonds1

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

4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine (PubChem CID 134086884) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine
PubChem CID134086884
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine
SMILESCc1c(Cl)cccc1-n1cnnc1N
InChIInChI=1S/C9H9ClN4/c1-6-7(10)3-2-4-8(6)14-5-12-13-9(14)11/h2-5H,1H3,(H2,11,13)
InChIKeyAFCZTBORHIMCSU-UHFFFAOYSA-N
XLogP1.81
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106556328
[1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine
CID 82286820
[3-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-2-methylphenyl]methanamine
CID 141171435
4-phenyl-1,2,4-triazol-3-amine
CID 12949094
3-chloro-2-(4,5-dimethyl-1,2,4-triazol-3-yl)aniline
CID 63723452
2-[4-(3-chloro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 7286875
1-(3-chloro-2-methylphenyl)quinazolin-4-one
CID 901936
5-amino-1-(3-chloro-2-methylphenyl)triazole-4-carboxylic acid
CID 82298279
[1-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 83822954
[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine
CID 82083524
5-(3-chloro-2-methylphenyl)-1,2,4-triazole-3,4-diamine
CID 107096246
4-(3-bromo-2-methylphenyl)-3-(chloromethyl)-1,2,4-triazole
CID 107640401

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine?
The IUPAC name of 4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine (CID 134086884) is 4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine is Cc1c(Cl)cccc1-n1cnnc1N.
What is the InChIKey of 4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine?
The InChIKey is AFCZTBORHIMCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-6-7(10)3-2-4-8(6)14-5-12-13-9(14)11/h2-5H,1H3,(H2,11,13).
What are the key properties of 4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine?
4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine has a molecular weight of 208.65 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 134086884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).