6-(3-chlorophenyl)-5-phenyl-1,2,4-triazin-3-amine

C15H11ClN4 — CID 53354521

IUPAC6-(3-chlorophenyl)-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(-c2cccc(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C15H11ClN4/c16-12-8-4-7-11(9-12)14-13(18-15(17)20-19-14)10-5-2-1-3-6-10/h1-9H,(H2,17,18,20)
InChIKeyKRDHDDNWMDQZBH-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.44
Rot. Bonds2

About 6-(3-chlorophenyl)-5-phenyl-1,2,4-triazin-3-amine

6-(3-chlorophenyl)-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 53354521) has the molecular formula C15H11ClN4 and a molecular weight of 282.73 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-5-phenyl-1,2,4-triazin-3-amine
PubChem CID53354521
Molecular FormulaC15H11ClN4
Molecular Weight282.73 g/mol
Exact Mass282.07
IUPAC Name6-(3-chlorophenyl)-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(-c2cccc(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C15H11ClN4/c16-12-8-4-7-11(9-12)14-13(18-15(17)20-19-14)10-5-2-1-3-6-10/h1-9H,(H2,17,18,20)
InChIKeyKRDHDDNWMDQZBH-UHFFFAOYSA-N
XLogP3.44
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Lamotrigine
CID 3878
Imaradenant
CID 86676119
5,6-Diphenyl-1,2,4-triazin-3-amine
CID 78268
6-(2,6-Dimethylpyridin-4-Yl)-5-Phenyl-1,2,4-Triazin-3-Amine
CID 56844240
3-Hydrazino-5,6-diphenyl-1,2,4-triazine
CID 601464
3-Chloro-5,6-diphenyl-1,2,4-triazine
CID 288439
5,6-Bis(4-chlorophenyl)-3-(methylsulfanyl)-1,2,4-triazine
CID 3053046
as-TRIAZINE, 5,6-DIPHENYL-3-METHOXY-
CID 24063
3-(4-Chlorophenyl)-5,6-diphenyl-1,2,4-triazine
CID 6409904
6-(3,5-Dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53353232
6-(3,5-Dichlorophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53354632
as-Triazine, 5-(3-chlorophenyl)-3-hydrazino-
CID 3053950

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-(3-chlorophenyl)-5-phenyl-1,2,4-triazin-3-amine (CID 53354521) is 6-(3-chlorophenyl)-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(3-chlorophenyl)-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(3-chlorophenyl)-5-phenyl-1,2,4-triazin-3-amine is Nc1nnc(-c2cccc(Cl)c2)c(-c2ccccc2)n1.
What is the InChIKey of 6-(3-chlorophenyl)-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is KRDHDDNWMDQZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4/c16-12-8-4-7-11(9-12)14-13(18-15(17)20-19-14)10-5-2-1-3-6-10/h1-9H,(H2,17,18,20).
What are the key properties of 6-(3-chlorophenyl)-5-phenyl-1,2,4-triazin-3-amine?
6-(3-chlorophenyl)-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 282.73 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 53354521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).