6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine

C15H12ClN5 — CID 53353516

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine
SMILESCc1cc(-c2nnc(N)nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C15H12ClN5/c1-9-7-11(8-12(16)18-9)14-13(19-15(17)21-20-14)10-5-3-2-4-6-10/h2-8H,1H3,(H2,17,19,21)
InChIKeyCIQKMAODEOFLCF-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.14
Rot. Bonds2

About 6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine

6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 53353516) has the molecular formula C15H12ClN5 and a molecular weight of 297.75 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine
PubChem CID53353516
Molecular FormulaC15H12ClN5
Molecular Weight297.75 g/mol
Exact Mass297.08
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine
SMILESCc1cc(-c2nnc(N)nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C15H12ClN5/c1-9-7-11(8-12(16)18-9)14-13(19-15(17)21-20-14)10-5-3-2-4-6-10/h2-8H,1H3,(H2,17,19,21)
InChIKeyCIQKMAODEOFLCF-UHFFFAOYSA-N
XLogP3.14
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine (CID 53353516) is 6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine is Cc1cc(-c2nnc(N)nc2-c2ccccc2)cc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is CIQKMAODEOFLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5/c1-9-7-11(8-12(16)18-9)14-13(19-15(17)21-20-14)10-5-3-2-4-6-10/h2-8H,1H3,(H2,17,19,21).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine?
6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 297.75 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 53353516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).