3-[(2-fluorooxan-3-yl)amino]-1-methylpyrazin-2-one

C10H14FN3O2 — CID 126857080

IUPAC3-[(2-fluorooxan-3-yl)amino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NC2CCCOC2F)c1=O
InChIInChI=1S/C10H14FN3O2/c1-14-5-4-12-9(10(14)15)13-7-3-2-6-16-8(7)11/h4-5,7-8H,2-3,6H2,1H3,(H,12,13)
InChIKeyGDRPYLXESMLEPT-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.67
Rot. Bonds2

About 3-[(2-fluorooxan-3-yl)amino]-1-methylpyrazin-2-one

3-[(2-fluorooxan-3-yl)amino]-1-methylpyrazin-2-one (PubChem CID 126857080) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is 3-[(2-fluorooxan-3-yl)amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(2-fluorooxan-3-yl)amino]-1-methylpyrazin-2-one
PubChem CID126857080
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name3-[(2-fluorooxan-3-yl)amino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NC2CCCOC2F)c1=O
InChIInChI=1S/C10H14FN3O2/c1-14-5-4-12-9(10(14)15)13-7-3-2-6-16-8(7)11/h4-5,7-8H,2-3,6H2,1H3,(H,12,13)
InChIKeyGDRPYLXESMLEPT-UHFFFAOYSA-N
XLogP0.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorooxan-3-yl)amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(2-fluorooxan-3-yl)amino]-1-methylpyrazin-2-one (CID 126857080) is 3-[(2-fluorooxan-3-yl)amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(2-fluorooxan-3-yl)amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(2-fluorooxan-3-yl)amino]-1-methylpyrazin-2-one is Cn1ccnc(NC2CCCOC2F)c1=O.
What is the InChIKey of 3-[(2-fluorooxan-3-yl)amino]-1-methylpyrazin-2-one?
The InChIKey is GDRPYLXESMLEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c1-14-5-4-12-9(10(14)15)13-7-3-2-6-16-8(7)11/h4-5,7-8H,2-3,6H2,1H3,(H,12,13).
What are the key properties of 3-[(2-fluorooxan-3-yl)amino]-1-methylpyrazin-2-one?
3-[(2-fluorooxan-3-yl)amino]-1-methylpyrazin-2-one has a molecular weight of 227.24 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorooxan-3-yl)amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 126857080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).