6-[2-(azetidin-1-yl)-6-methyl-4-pyridinyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine

C18H17FN6 — CID 53354722

IUPAC6-[2-(azetidin-1-yl)-6-methyl-4-pyridinyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
SMILESCc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(N2CCC2)n1
InChIInChI=1S/C18H17FN6/c1-11-9-13(10-15(21-11)25-7-2-8-25)17-16(22-18(20)24-23-17)12-3-5-14(19)6-4-12/h3-6,9-10H,2,7-8H2,1H3,(H2,20,22,24)
InChIKeyOZRFIJYBOMLPRU-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.84
Rot. Bonds3

About 6-[2-(azetidin-1-yl)-6-methyl-4-pyridinyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine

6-[2-(azetidin-1-yl)-6-methyl-4-pyridinyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine (PubChem CID 53354722) has the molecular formula C18H17FN6 and a molecular weight of 336.37 g/mol. Its IUPAC name is 6-[2-(azetidin-1-yl)-6-methyl-4-pyridinyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-[2-(azetidin-1-yl)-6-methyl-4-pyridinyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
PubChem CID53354722
Molecular FormulaC18H17FN6
Molecular Weight336.37 g/mol
Exact Mass336.15
IUPAC Name6-[2-(azetidin-1-yl)-6-methyl-4-pyridinyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
SMILESCc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(N2CCC2)n1
InChIInChI=1S/C18H17FN6/c1-11-9-13(10-15(21-11)25-7-2-8-25)17-16(22-18(20)24-23-17)12-3-5-14(19)6-4-12/h3-6,9-10H,2,7-8H2,1H3,(H2,20,22,24)
InChIKeyOZRFIJYBOMLPRU-UHFFFAOYSA-N
XLogP2.84
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-(azetidin-1-yl)-6-methyl-4-pyridinyl]-5-(4-fluorophenyl)-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 6-[2-(azetidin-1-yl)-6-methyl-4-pyridinyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 6-[2-(azetidin-1-yl)-6-methyl-4-pyridinyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine (CID 53354722) is 6-[2-(azetidin-1-yl)-6-methyl-4-pyridinyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-[2-(azetidin-1-yl)-6-methyl-4-pyridinyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 6-[2-(azetidin-1-yl)-6-methyl-4-pyridinyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine is Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(N2CCC2)n1.
What is the InChIKey of 6-[2-(azetidin-1-yl)-6-methyl-4-pyridinyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The InChIKey is OZRFIJYBOMLPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6/c1-11-9-13(10-15(21-11)25-7-2-8-25)17-16(22-18(20)24-23-17)12-3-5-14(19)6-4-12/h3-6,9-10H,2,7-8H2,1H3,(H2,20,22,24).
What are the key properties of 6-[2-(azetidin-1-yl)-6-methyl-4-pyridinyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
6-[2-(azetidin-1-yl)-6-methyl-4-pyridinyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine has a molecular weight of 336.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(azetidin-1-yl)-6-methyl-4-pyridinyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 53354722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).