1-(2-chloro-4-methylphenyl)-5-methyltriazol-4-amine

C10H11ClN4 — CID 79501030

IUPAC1-(2-chloro-4-methylphenyl)-5-methyltriazol-4-amine
SMILESCc1ccc(-n2nnc(N)c2C)c(Cl)c1
InChIInChI=1S/C10H11ClN4/c1-6-3-4-9(8(11)5-6)15-7(2)10(12)13-14-15/h3-5H,12H2,1-2H3
InChIKeyNAIGKDUJPWIBPU-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.12
Rot. Bonds1

About 1-(2-chloro-4-methylphenyl)-5-methyltriazol-4-amine

1-(2-chloro-4-methylphenyl)-5-methyltriazol-4-amine (PubChem CID 79501030) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-5-methyltriazol-4-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-5-methyltriazol-4-amine
PubChem CID79501030
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name1-(2-chloro-4-methylphenyl)-5-methyltriazol-4-amine
SMILESCc1ccc(-n2nnc(N)c2C)c(Cl)c1
InChIInChI=1S/C10H11ClN4/c1-6-3-4-9(8(11)5-6)15-7(2)10(12)13-14-15/h3-5H,12H2,1-2H3
InChIKeyNAIGKDUJPWIBPU-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-5-methyltriazol-4-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-5-methyltriazol-4-amine (CID 79501030) is 1-(2-chloro-4-methylphenyl)-5-methyltriazol-4-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-5-methyltriazol-4-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-5-methyltriazol-4-amine is Cc1ccc(-n2nnc(N)c2C)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-5-methyltriazol-4-amine?
The InChIKey is NAIGKDUJPWIBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-6-3-4-9(8(11)5-6)15-7(2)10(12)13-14-15/h3-5H,12H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-5-methyltriazol-4-amine?
1-(2-chloro-4-methylphenyl)-5-methyltriazol-4-amine has a molecular weight of 222.68 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-5-methyltriazol-4-amine is sourced from PubChem (CID 79501030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).