3-[(2-aminocycloheptyl)amino]-1-(2-methylpropyl)pyrazin-2-one

C15H26N4O — CID 63258805

IUPAC3-[(2-aminocycloheptyl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NC2CCCCCC2N)c1=O
InChIInChI=1S/C15H26N4O/c1-11(2)10-19-9-8-17-14(15(19)20)18-13-7-5-3-4-6-12(13)16/h8-9,11-13H,3-7,10,16H2,1-2H3,(H,17,18)
InChIKeyYOHFONPUHJMPND-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.97
Rot. Bonds4

About 3-[(2-aminocycloheptyl)amino]-1-(2-methylpropyl)pyrazin-2-one

3-[(2-aminocycloheptyl)amino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 63258805) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[(2-aminocycloheptyl)amino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(2-aminocycloheptyl)amino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID63258805
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[(2-aminocycloheptyl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NC2CCCCCC2N)c1=O
InChIInChI=1S/C15H26N4O/c1-11(2)10-19-9-8-17-14(15(19)20)18-13-7-5-3-4-6-12(13)16/h8-9,11-13H,3-7,10,16H2,1-2H3,(H,17,18)
InChIKeyYOHFONPUHJMPND-UHFFFAOYSA-N
XLogP1.97
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 64927091
3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one
CID 63252226
3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one
CID 94896988
3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156990
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
1-(2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazin-2-one
CID 55157186
3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 115883841
3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 104695867
3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 103888844
3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62927609
3-[[2-(chloromethyl)cyclohexyl]amino]-1-propylpyrazin-2-one
CID 106365605
3-[(2-cyclopropyloxan-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 133473466

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminocycloheptyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[(2-aminocycloheptyl)amino]-1-(2-methylpropyl)pyrazin-2-one (CID 63258805) is 3-[(2-aminocycloheptyl)amino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[(2-aminocycloheptyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[(2-aminocycloheptyl)amino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(NC2CCCCCC2N)c1=O.
What is the InChIKey of 3-[(2-aminocycloheptyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is YOHFONPUHJMPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)10-19-9-8-17-14(15(19)20)18-13-7-5-3-4-6-12(13)16/h8-9,11-13H,3-7,10,16H2,1-2H3,(H,17,18).
What are the key properties of 3-[(2-aminocycloheptyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
3-[(2-aminocycloheptyl)amino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 278.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminocycloheptyl)amino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 63258805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).