1-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine

C11H13ClN4 — CID 115645203

IUPAC1-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccccc2Cl)n[nH]1
InChIInChI=1S/C11H13ClN4/c1-8-14-11(16-15-8)7-13-6-9-4-2-3-5-10(9)12/h2-5,13H,6-7H2,1H3,(H,14,15,16)
InChIKeyGRECXFPRWIDVTG-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.06
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine

1-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 115645203) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID115645203
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name1-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccccc2Cl)n[nH]1
InChIInChI=1S/C11H13ClN4/c1-8-14-11(16-15-8)7-13-6-9-4-2-3-5-10(9)12/h2-5,13H,6-7H2,1H3,(H,14,15,16)
InChIKeyGRECXFPRWIDVTG-UHFFFAOYSA-N
XLogP2.06
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine (CID 115645203) is 1-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine is Cc1nc(CNCc2ccccc2Cl)n[nH]1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is GRECXFPRWIDVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-8-14-11(16-15-8)7-13-6-9-4-2-3-5-10(9)12/h2-5,13H,6-7H2,1H3,(H,14,15,16).
What are the key properties of 1-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine?
1-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 236.71 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 115645203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).