2-[(2-fluorophenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C14H14FN5O — CID 1266947

IUPAC2-[(2-fluorophenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(NCc3ccccc3F)[nH]n2c(=O)c1C
InChIInChI=1S/C14H14FN5O/c1-8-9(2)17-14-18-13(19-20(14)12(8)21)16-7-10-5-3-4-6-11(10)15/h3-6H,7H2,1-2H3,(H2,16,17,18,19)
InChIKeyPWTXKTXPZYGFEV-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.79
Rot. Bonds3

About 2-[(2-fluorophenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-[(2-fluorophenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 1266947) has the molecular formula C14H14FN5O and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID1266947
Molecular FormulaC14H14FN5O
Molecular Weight287.30 g/mol
Exact Mass287.12
IUPAC Name2-[(2-fluorophenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(NCc3ccccc3F)[nH]n2c(=O)c1C
InChIInChI=1S/C14H14FN5O/c1-8-9(2)17-14-18-13(19-20(14)12(8)21)16-7-10-5-3-4-6-11(10)15/h3-6H,7H2,1-2H3,(H2,16,17,18,19)
InChIKeyPWTXKTXPZYGFEV-UHFFFAOYSA-N
XLogP1.79
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-fluorophenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one 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 2-[(2-fluorophenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 1266947) is 2-[(2-fluorophenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc(NCc3ccccc3F)[nH]n2c(=O)c1C.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PWTXKTXPZYGFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O/c1-8-9(2)17-14-18-13(19-20(14)12(8)21)16-7-10-5-3-4-6-11(10)15/h3-6H,7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-[(2-fluorophenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-[(2-fluorophenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 287.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1266947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).