1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one

C9H15N3O2 — CID 62939492

IUPAC1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one
SMILESCCn1ccnc(NCCCO)c1=O
InChIInChI=1S/C9H15N3O2/c1-2-12-6-5-11-8(9(12)14)10-4-3-7-13/h5-6,13H,2-4,7H2,1H3,(H,10,11)
InChIKeyKPRZLKBWRTXOBE-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.06
Rot. Bonds5

About 1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one

1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one (PubChem CID 62939492) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one
PubChem CID62939492
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one
SMILESCCn1ccnc(NCCCO)c1=O
InChIInChI=1S/C9H15N3O2/c1-2-12-6-5-11-8(9(12)14)10-4-3-7-13/h5-6,13H,2-4,7H2,1H3,(H,10,11)
InChIKeyKPRZLKBWRTXOBE-UHFFFAOYSA-N
XLogP0.06
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-ethoxypropylamino)-1-ethylpyrazin-2-one
CID 62940527
1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
CID 113327814
methyl 6-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoate
CID 62927654
3-[(5-chloro-4-methylpentyl)amino]-1-ethylpyrazin-2-one
CID 106154553
3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one
CID 114171621
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide
CID 62940018
1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one
CID 104577036
4-[(1-ethylimidazol-2-yl)amino]butan-1-ol
CID 106842674
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetamide
CID 62938604
3-(3-chloropropylamino)-1-propylpyrazin-2-one
CID 65030283
1-ethyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one
CID 62927574
3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-hydroxypropanamide
CID 106170778

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one?
The IUPAC name of 1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one (CID 62939492) is 1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one is CCn1ccnc(NCCCO)c1=O.
What is the InChIKey of 1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one?
The InChIKey is KPRZLKBWRTXOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-12-6-5-11-8(9(12)14)10-4-3-7-13/h5-6,13H,2-4,7H2,1H3,(H,10,11).
What are the key properties of 1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one?
1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one has a molecular weight of 197.24 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one is sourced from PubChem (CID 62939492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).