3-[(2-cyclopropyloxan-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one

C16H25N3O2 — CID 133473466

IUPAC3-[(2-cyclopropyloxan-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NC2CCOC(C3CC3)C2)c1=O
InChIInChI=1S/C16H25N3O2/c1-11(2)10-19-7-6-17-15(16(19)20)18-13-5-8-21-14(9-13)12-3-4-12/h6-7,11-14H,3-5,8-10H2,1-2H3,(H,17,18)
InChIKeyKPXKSPIHVIKECV-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.27
Rot. Bonds5

About 3-[(2-cyclopropyloxan-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one

3-[(2-cyclopropyloxan-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 133473466) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[(2-cyclopropyloxan-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(2-cyclopropyloxan-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID133473466
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-[(2-cyclopropyloxan-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NC2CCOC(C3CC3)C2)c1=O
InChIInChI=1S/C16H25N3O2/c1-11(2)10-19-7-6-17-15(16(19)20)18-13-5-8-21-14(9-13)12-3-4-12/h6-7,11-14H,3-5,8-10H2,1-2H3,(H,17,18)
InChIKeyKPXKSPIHVIKECV-UHFFFAOYSA-N
XLogP2.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156990
3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 103888844
1-(2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazin-2-one
CID 55157186
1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one
CID 133439346
3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 104695867
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62927609
3-[(2-aminocycloheptyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 63258805
3-[(4-methylmorpholin-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 79072318
3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62928309
propan-2-yl 2-[(2-cyclopropyloxan-4-yl)amino]pyridine-3-carboxylate
CID 133473797
3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 115883841

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyloxan-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[(2-cyclopropyloxan-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one (CID 133473466) is 3-[(2-cyclopropyloxan-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[(2-cyclopropyloxan-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[(2-cyclopropyloxan-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(NC2CCOC(C3CC3)C2)c1=O.
What is the InChIKey of 3-[(2-cyclopropyloxan-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is KPXKSPIHVIKECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)10-19-7-6-17-15(16(19)20)18-13-5-8-21-14(9-13)12-3-4-12/h6-7,11-14H,3-5,8-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[(2-cyclopropyloxan-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
3-[(2-cyclopropyloxan-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 291.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyloxan-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 133473466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).