1-cyclopropyl-3-[(1-hydroxycyclopentyl)methylamino]pyrazin-2-one

C13H19N3O2 — CID 65110313

IUPAC1-cyclopropyl-3-[(1-hydroxycyclopentyl)methylamino]pyrazin-2-one
SMILESO=c1c(NCC2(O)CCCC2)nccn1C1CC1
InChIInChI=1S/C13H19N3O2/c17-12-11(14-7-8-16(12)10-3-4-10)15-9-13(18)5-1-2-6-13/h7-8,10,18H,1-6,9H2,(H,14,15)
InChIKeyHNOUVLHTGCWADY-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.30
Rot. Bonds4

About 1-cyclopropyl-3-[(1-hydroxycyclopentyl)methylamino]pyrazin-2-one

1-cyclopropyl-3-[(1-hydroxycyclopentyl)methylamino]pyrazin-2-one (PubChem CID 65110313) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1-hydroxycyclopentyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1-hydroxycyclopentyl)methylamino]pyrazin-2-one
PubChem CID65110313
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-cyclopropyl-3-[(1-hydroxycyclopentyl)methylamino]pyrazin-2-one
SMILESO=c1c(NCC2(O)CCCC2)nccn1C1CC1
InChIInChI=1S/C13H19N3O2/c17-12-11(14-7-8-16(12)10-3-4-10)15-9-13(18)5-1-2-6-13/h7-8,10,18H,1-6,9H2,(H,14,15)
InChIKeyHNOUVLHTGCWADY-UHFFFAOYSA-N
XLogP1.30
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-3-[(1-hydroxycyclohexyl)methylamino]pyrazin-2-one
CID 65110579
1-cyclopropyl-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]pyrazin-2-one
CID 65118452
1-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433312
1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrazin-2-one
CID 103989758
1-cyclopropyl-3-[(1-ethylcyclopropyl)methylamino]pyrazin-2-one
CID 103931036
4-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid
CID 115438721
1-cyclopropyl-3-(propylamino)pyrazin-2-one
CID 62938241
1-cyclopropyl-3-(hex-5-ynylamino)pyrazin-2-one
CID 103931043
1-cyclopropyl-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one
CID 112561891
1-cyclopropyl-3-[(1-hydroxycyclopentyl)methyl-methylamino]pyrazin-2-one
CID 115917456
3-(4-chlorobutylamino)-1-cyclopropylpyrazin-2-one
CID 106845044
3-(cyclobutylamino)-1-cyclopropylpyrazin-2-one
CID 62927759

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1-hydroxycyclopentyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[(1-hydroxycyclopentyl)methylamino]pyrazin-2-one (CID 65110313) is 1-cyclopropyl-3-[(1-hydroxycyclopentyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(1-hydroxycyclopentyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(1-hydroxycyclopentyl)methylamino]pyrazin-2-one is O=c1c(NCC2(O)CCCC2)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(1-hydroxycyclopentyl)methylamino]pyrazin-2-one?
The InChIKey is HNOUVLHTGCWADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12-11(14-7-8-16(12)10-3-4-10)15-9-13(18)5-1-2-6-13/h7-8,10,18H,1-6,9H2,(H,14,15).
What are the key properties of 1-cyclopropyl-3-[(1-hydroxycyclopentyl)methylamino]pyrazin-2-one?
1-cyclopropyl-3-[(1-hydroxycyclopentyl)methylamino]pyrazin-2-one has a molecular weight of 249.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1-hydroxycyclopentyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 65110313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).