2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-amine

C11H13ClN4 — CID 63276506

IUPAC2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-amine
SMILESCCc1nc(N)n(Cc2ccccc2Cl)n1
InChIInChI=1S/C11H13ClN4/c1-2-10-14-11(13)16(15-10)7-8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3,(H2,13,14,15)
InChIKeyUTVBNNQELDABFI-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.12
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-amine

2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-amine (PubChem CID 63276506) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-amine
PubChem CID63276506
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-amine
SMILESCCc1nc(N)n(Cc2ccccc2Cl)n1
InChIInChI=1S/C11H13ClN4/c1-2-10-14-11(13)16(15-10)7-8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3,(H2,13,14,15)
InChIKeyUTVBNNQELDABFI-UHFFFAOYSA-N
XLogP2.12
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-amine 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 2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-amine (CID 63276506) is 2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-amine is CCc1nc(N)n(Cc2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-amine?
The InChIKey is UTVBNNQELDABFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-2-10-14-11(13)16(15-10)7-8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3,(H2,13,14,15).
What are the key properties of 2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-amine?
2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-amine has a molecular weight of 236.71 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 63276506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).