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

C16H13F2N5 — CID 67364090

IUPAC5-(3,5-difluorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine
SMILESCc1cc(-c2nnc(N)nc2-c2cc(F)cc(F)c2)cc(C)n1
InChIInChI=1S/C16H13F2N5/c1-8-3-10(4-9(2)20-8)15-14(21-16(19)23-22-15)11-5-12(17)7-13(18)6-11/h3-7H,1-2H3,(H2,19,21,23)
InChIKeyZEBNSCYTUBSYES-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.08
Rot. Bonds2

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

5-(3,5-difluorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine (PubChem CID 67364090) has the molecular formula C16H13F2N5 and a molecular weight of 313.31 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine
PubChem CID67364090
Molecular FormulaC16H13F2N5
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name5-(3,5-difluorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine
SMILESCc1cc(-c2nnc(N)nc2-c2cc(F)cc(F)c2)cc(C)n1
InChIInChI=1S/C16H13F2N5/c1-8-3-10(4-9(2)20-8)15-14(21-16(19)23-22-15)11-5-12(17)7-13(18)6-11/h3-7H,1-2H3,(H2,19,21,23)
InChIKeyZEBNSCYTUBSYES-UHFFFAOYSA-N
XLogP3.08
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3,5-difluorophenyl)-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-(3,5-difluorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3,5-difluorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine (CID 67364090) is 5-(3,5-difluorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3,5-difluorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3,5-difluorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine is Cc1cc(-c2nnc(N)nc2-c2cc(F)cc(F)c2)cc(C)n1.
What is the InChIKey of 5-(3,5-difluorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine?
The InChIKey is ZEBNSCYTUBSYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5/c1-8-3-10(4-9(2)20-8)15-14(21-16(19)23-22-15)11-5-12(17)7-13(18)6-11/h3-7H,1-2H3,(H2,19,21,23).
What are the key properties of 5-(3,5-difluorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine?
5-(3,5-difluorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine has a molecular weight of 313.31 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 67364090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).