3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-1H-pyrazin-2-one

C12H12F2N4O — CID 70079860

IUPAC3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-1H-pyrazin-2-one
SMILESCc1cnc(NCC(F)(F)c2ccccn2)c(=O)[nH]1
InChIInChI=1S/C12H12F2N4O/c1-8-6-16-10(11(19)18-8)17-7-12(13,14)9-4-2-3-5-15-9/h2-6H,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyVIOMPTDNLLIPAJ-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.68
Rot. Bonds4

About 3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-1H-pyrazin-2-one

3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-1H-pyrazin-2-one (PubChem CID 70079860) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is 3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-1H-pyrazin-2-one
PubChem CID70079860
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-1H-pyrazin-2-one
SMILESCc1cnc(NCC(F)(F)c2ccccn2)c(=O)[nH]1
InChIInChI=1S/C12H12F2N4O/c1-8-6-16-10(11(19)18-8)17-7-12(13,14)9-4-2-3-5-15-9/h2-6H,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyVIOMPTDNLLIPAJ-UHFFFAOYSA-N
XLogP1.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-1H-pyrazin-2-one?
The IUPAC name of 3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-1H-pyrazin-2-one (CID 70079860) is 3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-1H-pyrazin-2-one?
The canonical SMILES for 3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-1H-pyrazin-2-one is Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)[nH]1.
What is the InChIKey of 3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-1H-pyrazin-2-one?
The InChIKey is VIOMPTDNLLIPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c1-8-6-16-10(11(19)18-8)17-7-12(13,14)9-4-2-3-5-15-9/h2-6H,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-1H-pyrazin-2-one?
3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-1H-pyrazin-2-one has a molecular weight of 266.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-1H-pyrazin-2-one is sourced from PubChem (CID 70079860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).