3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrazin-2-one

C13H22N4O — CID 62978693

IUPAC3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(NCCN(C)C2CC2)c1=O
InChIInChI=1S/C13H22N4O/c1-10(2)17-9-7-15-12(13(17)18)14-6-8-16(3)11-4-5-11/h7,9-11H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyFUEOLNBABZJBIB-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.33
Rot. Bonds6

About 3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrazin-2-one

3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrazin-2-one (PubChem CID 62978693) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrazin-2-one
PubChem CID62978693
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(NCCN(C)C2CC2)c1=O
InChIInChI=1S/C13H22N4O/c1-10(2)17-9-7-15-12(13(17)18)14-6-8-16(3)11-4-5-11/h7,9-11H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyFUEOLNBABZJBIB-UHFFFAOYSA-N
XLogP1.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 62928664
1-propan-2-yl-3-(propylamino)pyrazin-2-one
CID 53015093
N'-cyclopropyl-N'-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]ethane-1,2-diamine
CID 106571499
3-(ethylamino)-1-propan-2-ylpyrazin-2-one
CID 62938422
3-(2-piperidin-1-ylethylamino)-1-propan-2-ylpyrazin-2-one
CID 55156035
N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide
CID 106337676
N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 62939676
3-[[1-(dimethylamino)cyclopentyl]methylamino]-1-propan-2-ylpyrazin-2-one
CID 83113978
3-[2-(1-methylimidazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 62939874
3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 106105480
3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one
CID 106308205
3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one
CID 62938656

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrazin-2-one (CID 62978693) is 3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrazin-2-one is CC(C)n1ccnc(NCCN(C)C2CC2)c1=O.
What is the InChIKey of 3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is FUEOLNBABZJBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)17-9-7-15-12(13(17)18)14-6-8-16(3)11-4-5-11/h7,9-11H,4-6,8H2,1-3H3,(H,14,15).
What are the key properties of 3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrazin-2-one?
3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 250.35 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 62978693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).