5-(3-chloro-2-methylphenyl)-1,2,4-triazole-3,4-diamine

C9H10ClN5 — CID 107096246

IUPAC5-(3-chloro-2-methylphenyl)-1,2,4-triazole-3,4-diamine
SMILESCc1c(Cl)cccc1-c1nnc(N)n1N
InChIInChI=1S/C9H10ClN5/c1-5-6(3-2-4-7(5)10)8-13-14-9(11)15(8)12/h2-4H,12H2,1H3,(H2,11,14)
InChIKeySBNOMOKGWTYPKT-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.20
Rot. Bonds1

About 5-(3-chloro-2-methylphenyl)-1,2,4-triazole-3,4-diamine

5-(3-chloro-2-methylphenyl)-1,2,4-triazole-3,4-diamine (PubChem CID 107096246) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 5-(3-chloro-2-methylphenyl)-1,2,4-triazole-3,4-diamine.

Molecular Properties

Compound Name5-(3-chloro-2-methylphenyl)-1,2,4-triazole-3,4-diamine
PubChem CID107096246
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name5-(3-chloro-2-methylphenyl)-1,2,4-triazole-3,4-diamine
SMILESCc1c(Cl)cccc1-c1nnc(N)n1N
InChIInChI=1S/C9H10ClN5/c1-5-6(3-2-4-7(5)10)8-13-14-9(11)15(8)12/h2-4H,12H2,1H3,(H2,11,14)
InChIKeySBNOMOKGWTYPKT-UHFFFAOYSA-N
XLogP1.20
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(3-chloro-2-methylphenyl)-1,2,4-triazole-3,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-(4,5-diamino-1,2,4-triazol-3-yl)phenol
CID 106500941
5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine
CID 67188640
4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine
CID 134086884
2-(3-chloro-2-methylphenyl)pyridin-3-amine
CID 82393115
2-[5-(3-chloro-2-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 107101228
4-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine
CID 90189205
3,5-bis(2-aminophenyl)-1,2,4-triazol-4-amine
CID 3818607
1-chloro-2-methyl-3-(4-methylphenyl)benzene
CID 164892944
3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 11617680
3-(3-chloro-2-methylphenyl)-5-fluoropyridine-2,6-diamine
CID 139389926
3-chloro-2-(4,5-dimethyl-1,2,4-triazol-3-yl)aniline
CID 63723452
2-chloro-6-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline
CID 107050381

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylphenyl)-1,2,4-triazole-3,4-diamine?
The IUPAC name of 5-(3-chloro-2-methylphenyl)-1,2,4-triazole-3,4-diamine (CID 107096246) is 5-(3-chloro-2-methylphenyl)-1,2,4-triazole-3,4-diamine.
What is the SMILES notation for 5-(3-chloro-2-methylphenyl)-1,2,4-triazole-3,4-diamine?
The canonical SMILES for 5-(3-chloro-2-methylphenyl)-1,2,4-triazole-3,4-diamine is Cc1c(Cl)cccc1-c1nnc(N)n1N.
What is the InChIKey of 5-(3-chloro-2-methylphenyl)-1,2,4-triazole-3,4-diamine?
The InChIKey is SBNOMOKGWTYPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-5-6(3-2-4-7(5)10)8-13-14-9(11)15(8)12/h2-4H,12H2,1H3,(H2,11,14).
What are the key properties of 5-(3-chloro-2-methylphenyl)-1,2,4-triazole-3,4-diamine?
5-(3-chloro-2-methylphenyl)-1,2,4-triazole-3,4-diamine has a molecular weight of 223.67 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylphenyl)-1,2,4-triazole-3,4-diamine is sourced from PubChem (CID 107096246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).