3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one

C10H17N3O3 — CID 62929908

IUPAC3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N(CCO)CCO)c1=O
InChIInChI=1S/C10H17N3O3/c1-2-12-4-3-11-9(10(12)16)13(5-7-14)6-8-15/h3-4,14-15H,2,5-8H2,1H3
InChIKeyGBZMBMOQSKADTO-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.95
Rot. Bonds6

About 3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one

3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one (PubChem CID 62929908) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one
PubChem CID62929908
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N(CCO)CCO)c1=O
InChIInChI=1S/C10H17N3O3/c1-2-12-4-3-11-9(10(12)16)13(5-7-14)6-8-15/h3-4,14-15H,2,5-8H2,1H3
InChIKeyGBZMBMOQSKADTO-UHFFFAOYSA-N
XLogP-0.95
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one
CID 62922421
3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one
CID 62929380
3-[2-bromoethyl(propyl)amino]-1-ethylpyrazin-2-one
CID 80673737
1-ethyl-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one
CID 106621403
3-[2-bromoethyl(methyl)amino]-1-ethylpyrazin-2-one
CID 80675862
3-[butyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 62928158
3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one
CID 62940803
2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484406
N-tert-butyl-2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetamide
CID 146086687
1-ethyl-3-[methyl(3-phenylpropyl)amino]pyrazin-2-one
CID 133446320
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one
CID 107484278
3-[(4-bromophenyl)methyl-methylamino]-1-ethylpyrazin-2-one
CID 133447307

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one (CID 62929908) is 3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one is CCn1ccnc(N(CCO)CCO)c1=O.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one?
The InChIKey is GBZMBMOQSKADTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-2-12-4-3-11-9(10(12)16)13(5-7-14)6-8-15/h3-4,14-15H,2,5-8H2,1H3.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one?
3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one has a molecular weight of 227.26 g/mol, XLogP of -0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 62929908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).