3-(oxan-4-ylamino)-1-propylpyrazin-2-one

C12H19N3O2 — CID 55155453

IUPAC3-(oxan-4-ylamino)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2CCOCC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-2-6-15-7-5-13-11(12(15)16)14-10-3-8-17-9-4-10/h5,7,10H,2-4,6,8-9H2,1H3,(H,13,14)
InChIKeyQKWONPWLGJMIRS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.24
Rot. Bonds4

About 3-(oxan-4-ylamino)-1-propylpyrazin-2-one

3-(oxan-4-ylamino)-1-propylpyrazin-2-one (PubChem CID 55155453) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(oxan-4-ylamino)-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-(oxan-4-ylamino)-1-propylpyrazin-2-one
PubChem CID55155453
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(oxan-4-ylamino)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2CCOCC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-2-6-15-7-5-13-11(12(15)16)14-10-3-8-17-9-4-10/h5,7,10H,2-4,6,8-9H2,1H3,(H,13,14)
InChIKeyQKWONPWLGJMIRS-UHFFFAOYSA-N
XLogP1.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylamino)-1-propylpyrazin-2-one?
The IUPAC name of 3-(oxan-4-ylamino)-1-propylpyrazin-2-one (CID 55155453) is 3-(oxan-4-ylamino)-1-propylpyrazin-2-one.
What is the SMILES notation for 3-(oxan-4-ylamino)-1-propylpyrazin-2-one?
The canonical SMILES for 3-(oxan-4-ylamino)-1-propylpyrazin-2-one is CCCn1ccnc(NC2CCOCC2)c1=O.
What is the InChIKey of 3-(oxan-4-ylamino)-1-propylpyrazin-2-one?
The InChIKey is QKWONPWLGJMIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-6-15-7-5-13-11(12(15)16)14-10-3-8-17-9-4-10/h5,7,10H,2-4,6,8-9H2,1H3,(H,13,14).
What are the key properties of 3-(oxan-4-ylamino)-1-propylpyrazin-2-one?
3-(oxan-4-ylamino)-1-propylpyrazin-2-one has a molecular weight of 237.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylamino)-1-propylpyrazin-2-one is sourced from PubChem (CID 55155453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).