1-(3-chlorophenyl)-5-phenyltriazol-4-amine

C14H11ClN4 — CID 73333292

IUPAC1-(3-chlorophenyl)-5-phenyltriazol-4-amine
SMILESNc1nnn(-c2cccc(Cl)c2)c1-c1ccccc1
InChIInChI=1S/C14H11ClN4/c15-11-7-4-8-12(9-11)19-13(14(16)17-18-19)10-5-2-1-3-6-10/h1-9H,16H2
InChIKeyXAYFGZPYFSZKTA-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.17
Rot. Bonds2

About 1-(3-chlorophenyl)-5-phenyltriazol-4-amine

1-(3-chlorophenyl)-5-phenyltriazol-4-amine (PubChem CID 73333292) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-phenyltriazol-4-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-phenyltriazol-4-amine
PubChem CID73333292
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name1-(3-chlorophenyl)-5-phenyltriazol-4-amine
SMILESNc1nnn(-c2cccc(Cl)c2)c1-c1ccccc1
InChIInChI=1S/C14H11ClN4/c15-11-7-4-8-12(9-11)19-13(14(16)17-18-19)10-5-2-1-3-6-10/h1-9H,16H2
InChIKeyXAYFGZPYFSZKTA-UHFFFAOYSA-N
XLogP3.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-phenyltriazol-4-amine?
The IUPAC name of 1-(3-chlorophenyl)-5-phenyltriazol-4-amine (CID 73333292) is 1-(3-chlorophenyl)-5-phenyltriazol-4-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-5-phenyltriazol-4-amine?
The canonical SMILES for 1-(3-chlorophenyl)-5-phenyltriazol-4-amine is Nc1nnn(-c2cccc(Cl)c2)c1-c1ccccc1.
What is the InChIKey of 1-(3-chlorophenyl)-5-phenyltriazol-4-amine?
The InChIKey is XAYFGZPYFSZKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c15-11-7-4-8-12(9-11)19-13(14(16)17-18-19)10-5-2-1-3-6-10/h1-9H,16H2.
What are the key properties of 1-(3-chlorophenyl)-5-phenyltriazol-4-amine?
1-(3-chlorophenyl)-5-phenyltriazol-4-amine has a molecular weight of 270.72 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-phenyltriazol-4-amine is sourced from PubChem (CID 73333292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).