5-(2-chloro-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine

C10H11ClN4 — CID 106860891

IUPAC5-(2-chloro-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine
SMILESCc1ccc(-c2nc(N)n(C)n2)c(Cl)c1
InChIInChI=1S/C10H11ClN4/c1-6-3-4-7(8(11)5-6)9-13-10(12)15(2)14-9/h3-5H,1-2H3,(H2,12,13,14)
InChIKeyGEGPSTDKFIHDGE-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.03
Rot. Bonds1

About 5-(2-chloro-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine

5-(2-chloro-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine (PubChem CID 106860891) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 5-(2-chloro-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2-chloro-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine
PubChem CID106860891
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name5-(2-chloro-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine
SMILESCc1ccc(-c2nc(N)n(C)n2)c(Cl)c1
InChIInChI=1S/C10H11ClN4/c1-6-3-4-7(8(11)5-6)9-13-10(12)15(2)14-9/h3-5H,1-2H3,(H2,12,13,14)
InChIKeyGEGPSTDKFIHDGE-UHFFFAOYSA-N
XLogP2.03
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-methylphenyl)-6-methylquinazolin-4-amine
CID 106864165
2-(2-chloro-4-methylphenyl)quinazolin-4-amine
CID 106863649
5-(3-bromo-5-chlorophenyl)-2-methyl-1,2,4-triazol-3-amine
CID 107938618
5-(4-fluoronaphthalen-1-yl)-2-methyl-1,2,4-triazol-3-amine
CID 114088248
5-(3,5-dibromophenyl)-2-methyl-1,2,4-triazol-3-amine
CID 107971918
6-(2-chloro-4-methylphenyl)pyridin-2-amine
CID 165447815
5-amino-3-(2,4-dichlorophenyl)-N-methyl-1,2,4-triazole-1-carbothioamide
CID 10614281
5-amino-2-(2-chloro-4-methylphenyl)-1,3-oxazole-4-carbonitrile
CID 106864497
[3-amino-6-(2-chloro-4-methylphenyl)-2-pyridinyl]methanediamine
CID 167055087
4-chloro-2-(2-chloro-4-methylphenyl)quinazoline
CID 106860906
6-(2-chloro-4-methylphenyl)pyridin-3-amine
CID 144687572
2-chloro-4-methylaniline
CID 12007

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2-chloro-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine (CID 106860891) is 5-(2-chloro-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2-chloro-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2-chloro-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine is Cc1ccc(-c2nc(N)n(C)n2)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is GEGPSTDKFIHDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-6-3-4-7(8(11)5-6)9-13-10(12)15(2)14-9/h3-5H,1-2H3,(H2,12,13,14).
What are the key properties of 5-(2-chloro-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine?
5-(2-chloro-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 222.68 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 106860891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).