3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one

C17H21N3O — CID 104695867

IUPAC3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NC2Cc3ccccc3C2)c1=O
InChIInChI=1S/C17H21N3O/c1-12(2)11-20-8-7-18-16(17(20)21)19-15-9-13-5-3-4-6-14(13)10-15/h3-8,12,15H,9-11H2,1-2H3,(H,18,19)
InChIKeyNKRMONVOCZQNQM-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.48
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one

3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 104695867) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
PubChem CID104695867
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NC2Cc3ccccc3C2)c1=O
InChIInChI=1S/C17H21N3O/c1-12(2)11-20-8-7-18-16(17(20)21)19-15-9-13-5-3-4-6-14(13)10-15/h3-8,12,15H,9-11H2,1-2H3,(H,18,19)
InChIKeyNKRMONVOCZQNQM-UHFFFAOYSA-N
XLogP2.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156990
1-(2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazin-2-one
CID 55157186
3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 103888844
3-[(2-cyclopropyloxan-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 133473466
3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62928309
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 62938964
3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62927609
3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938286
3-[2-(2-fluorophenyl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62939485
3-[(2-aminocycloheptyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 63258805
3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62939478

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one (CID 104695867) is 3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(NC2Cc3ccccc3C2)c1=O.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is NKRMONVOCZQNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12(2)11-20-8-7-18-16(17(20)21)19-15-9-13-5-3-4-6-14(13)10-15/h3-8,12,15H,9-11H2,1-2H3,(H,18,19).
What are the key properties of 3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 283.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 104695867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).