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

C16H14ClN5 — CID 67363777

IUPAC5-(4-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine
SMILESCc1cc(-c2nnc(N)nc2-c2ccc(Cl)cc2)cc(C)n1
InChIInChI=1S/C16H14ClN5/c1-9-7-12(8-10(2)19-9)15-14(20-16(18)22-21-15)11-3-5-13(17)6-4-11/h3-8H,1-2H3,(H2,18,20,22)
InChIKeyFQGPESZLQLSFSS-UHFFFAOYSA-N
MW311.78 g/mol
LogP3.45
Rot. Bonds2

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

5-(4-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine (PubChem CID 67363777) has the molecular formula C16H14ClN5 and a molecular weight of 311.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine
PubChem CID67363777
Molecular FormulaC16H14ClN5
Molecular Weight311.78 g/mol
Exact Mass311.09
IUPAC Name5-(4-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine
SMILESCc1cc(-c2nnc(N)nc2-c2ccc(Cl)cc2)cc(C)n1
InChIInChI=1S/C16H14ClN5/c1-9-7-12(8-10(2)19-9)15-14(20-16(18)22-21-15)11-3-5-13(17)6-4-11/h3-8H,1-2H3,(H2,18,20,22)
InChIKeyFQGPESZLQLSFSS-UHFFFAOYSA-N
XLogP3.45
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-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 5-(4-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine (CID 67363777) is 5-(4-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine is Cc1cc(-c2nnc(N)nc2-c2ccc(Cl)cc2)cc(C)n1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine?
The InChIKey is FQGPESZLQLSFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5/c1-9-7-12(8-10(2)19-9)15-14(20-16(18)22-21-15)11-3-5-13(17)6-4-11/h3-8H,1-2H3,(H2,18,20,22).
What are the key properties of 5-(4-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine?
5-(4-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine has a molecular weight of 311.78 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 67363777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).