3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-1-propylpyrazin-2-one

C14H22N4O2 — CID 66210982

IUPAC3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2C(N)C3CCCOC32)c1=O
InChIInChI=1S/C14H22N4O2/c1-2-6-18-7-5-16-13(14(18)19)17-11-10(15)9-4-3-8-20-12(9)11/h5,7,9-12H,2-4,6,8,15H2,1H3,(H,16,17)
InChIKeyWAPOGSQCPDIYJN-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.57
Rot. Bonds4

About 3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-1-propylpyrazin-2-one

3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-1-propylpyrazin-2-one (PubChem CID 66210982) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-1-propylpyrazin-2-one
PubChem CID66210982
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2C(N)C3CCCOC32)c1=O
InChIInChI=1S/C14H22N4O2/c1-2-6-18-7-5-16-13(14(18)19)17-11-10(15)9-4-3-8-20-12(9)11/h5,7,9-12H,2-4,6,8,15H2,1H3,(H,16,17)
InChIKeyWAPOGSQCPDIYJN-UHFFFAOYSA-N
XLogP0.57
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-1-propylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-methyloxolan-3-yl)amino]-1-propylpyrazin-2-one
CID 82728930
3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one
CID 63252226
3-[[2-(chloromethyl)cyclohexyl]amino]-1-propylpyrazin-2-one
CID 106365605
4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136978592
3-[(2-methylcyclohexyl)methylamino]-1-propylpyrazin-2-one
CID 62928622
1-propyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrazin-2-one
CID 103967207
8-N-pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66211752
3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]pyridazine-4-carbonitrile
CID 80515067
3-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one
CID 106129389
3-(4-aminopiperidin-1-yl)-1-propylpyrazin-2-one
CID 62939071
3-(morpholin-2-ylmethylamino)-1-propylpyrazin-2-one
CID 115324122
8-N-(6-methylpyridazin-3-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66211559

Frequently Asked Questions

What is the IUPAC name of 3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-1-propylpyrazin-2-one (CID 66210982) is 3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-1-propylpyrazin-2-one is CCCn1ccnc(NC2C(N)C3CCCOC32)c1=O.
What is the InChIKey of 3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-1-propylpyrazin-2-one?
The InChIKey is WAPOGSQCPDIYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-6-18-7-5-16-13(14(18)19)17-11-10(15)9-4-3-8-20-12(9)11/h5,7,9-12H,2-4,6,8,15H2,1H3,(H,16,17).
What are the key properties of 3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-1-propylpyrazin-2-one?
3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-1-propylpyrazin-2-one has a molecular weight of 278.36 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 66210982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).