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

C15H13ClN4 — CID 118726301

IUPAC4-[(2-chlorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine
SMILESNc1nnc(-c2ccccc2)n1Cc1ccccc1Cl
InChIInChI=1S/C15H13ClN4/c16-13-9-5-4-8-12(13)10-20-14(18-19-15(20)17)11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,19)
InChIKeySLIVPIYYOBSKJL-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.23
Rot. Bonds3

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

4-[(2-chlorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine (PubChem CID 118726301) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine
PubChem CID118726301
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name4-[(2-chlorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine
SMILESNc1nnc(-c2ccccc2)n1Cc1ccccc1Cl
InChIInChI=1S/C15H13ClN4/c16-13-9-5-4-8-12(13)10-20-14(18-19-15(20)17)11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,19)
InChIKeySLIVPIYYOBSKJL-UHFFFAOYSA-N
XLogP3.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine (CID 118726301) is 4-[(2-chlorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine is Nc1nnc(-c2ccccc2)n1Cc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine?
The InChIKey is SLIVPIYYOBSKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c16-13-9-5-4-8-12(13)10-20-14(18-19-15(20)17)11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,19).
What are the key properties of 4-[(2-chlorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine?
4-[(2-chlorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine has a molecular weight of 284.75 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 118726301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).