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

C10H15N3O2 — CID 115677846

IUPAC3-[(1-hydroxycyclopentyl)methylamino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NCC1(O)CCCC1
InChIInChI=1S/C10H15N3O2/c14-9-8(11-5-6-12-9)13-7-10(15)3-1-2-4-10/h5-6,15H,1-4,7H2,(H,11,13)(H,12,14)
InChIKeyLUAILYQJHCYGLR-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.49
Rot. Bonds3

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

3-[(1-hydroxycyclopentyl)methylamino]-1H-pyrazin-2-one (PubChem CID 115677846) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[(1-hydroxycyclopentyl)methylamino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(1-hydroxycyclopentyl)methylamino]-1H-pyrazin-2-one
PubChem CID115677846
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-[(1-hydroxycyclopentyl)methylamino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NCC1(O)CCCC1
InChIInChI=1S/C10H15N3O2/c14-9-8(11-5-6-12-9)13-7-10(15)3-1-2-4-10/h5-6,15H,1-4,7H2,(H,11,13)(H,12,14)
InChIKeyLUAILYQJHCYGLR-UHFFFAOYSA-N
XLogP0.49
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylcyclopropyl)methylamino]-1H-pyrazin-2-one
CID 103724924
1-[[(3-chloropyrazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 65108811
1-cyclopropyl-3-[(1-hydroxycyclopentyl)methylamino]pyrazin-2-one
CID 65110313
1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol
CID 65122500
1-cyclopropyl-3-[(1-hydroxycyclohexyl)methylamino]pyrazin-2-one
CID 65110579
3-[(2-amino-3-hydroxypropyl)amino]-1H-pyrazin-2-one
CID 127009394
2-[(2-oxo-1H-pyrazin-3-yl)amino]-N-propan-2-ylacetamide
CID 115650193
3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one
CID 115657213
6-[(1-hydroxycyclobutyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 115620965
3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one
CID 115897525
1-[[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103385664
1-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclopentan-1-ol
CID 113446380

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxycyclopentyl)methylamino]-1H-pyrazin-2-one?
The IUPAC name of 3-[(1-hydroxycyclopentyl)methylamino]-1H-pyrazin-2-one (CID 115677846) is 3-[(1-hydroxycyclopentyl)methylamino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(1-hydroxycyclopentyl)methylamino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(1-hydroxycyclopentyl)methylamino]-1H-pyrazin-2-one is O=c1[nH]ccnc1NCC1(O)CCCC1.
What is the InChIKey of 3-[(1-hydroxycyclopentyl)methylamino]-1H-pyrazin-2-one?
The InChIKey is LUAILYQJHCYGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-9-8(11-5-6-12-9)13-7-10(15)3-1-2-4-10/h5-6,15H,1-4,7H2,(H,11,13)(H,12,14).
What are the key properties of 3-[(1-hydroxycyclopentyl)methylamino]-1H-pyrazin-2-one?
3-[(1-hydroxycyclopentyl)methylamino]-1H-pyrazin-2-one has a molecular weight of 209.25 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxycyclopentyl)methylamino]-1H-pyrazin-2-one is sourced from PubChem (CID 115677846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).