3-[(2-methyloxolan-3-yl)amino]-1-propylpyrazin-2-one

C12H19N3O2 — CID 82728930

IUPAC3-[(2-methyloxolan-3-yl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2CCOC2C)c1=O
InChIInChI=1S/C12H19N3O2/c1-3-6-15-7-5-13-11(12(15)16)14-10-4-8-17-9(10)2/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,13,14)
InChIKeyJCVVOIPEUPCOGZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.24
Rot. Bonds4

About 3-[(2-methyloxolan-3-yl)amino]-1-propylpyrazin-2-one

3-[(2-methyloxolan-3-yl)amino]-1-propylpyrazin-2-one (PubChem CID 82728930) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[(2-methyloxolan-3-yl)amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(2-methyloxolan-3-yl)amino]-1-propylpyrazin-2-one
PubChem CID82728930
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[(2-methyloxolan-3-yl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2CCOC2C)c1=O
InChIInChI=1S/C12H19N3O2/c1-3-6-15-7-5-13-11(12(15)16)14-10-4-8-17-9(10)2/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,13,14)
InChIKeyJCVVOIPEUPCOGZ-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-[(2-methyloxolan-3-yl)amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(2-methyloxolan-3-yl)amino]-1-propylpyrazin-2-one (CID 82728930) is 3-[(2-methyloxolan-3-yl)amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(2-methyloxolan-3-yl)amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(2-methyloxolan-3-yl)amino]-1-propylpyrazin-2-one is CCCn1ccnc(NC2CCOC2C)c1=O.
What is the InChIKey of 3-[(2-methyloxolan-3-yl)amino]-1-propylpyrazin-2-one?
The InChIKey is JCVVOIPEUPCOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-6-15-7-5-13-11(12(15)16)14-10-4-8-17-9(10)2/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,13,14).
What are the key properties of 3-[(2-methyloxolan-3-yl)amino]-1-propylpyrazin-2-one?
3-[(2-methyloxolan-3-yl)amino]-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-[(2-methyloxolan-3-yl)amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 82728930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).