1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one

C11H19N3O3 — CID 114210811

IUPAC1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one
SMILESCCn1ccnc(NC(CO)CCOC)c1=O
InChIInChI=1S/C11H19N3O3/c1-3-14-6-5-12-10(11(14)16)13-9(8-15)4-7-17-2/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,12,13)
InChIKeyDCUJGISVFDKDDM-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.07
Rot. Bonds7

About 1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one

1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one (PubChem CID 114210811) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one
PubChem CID114210811
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one
SMILESCCn1ccnc(NC(CO)CCOC)c1=O
InChIInChI=1S/C11H19N3O3/c1-3-14-6-5-12-10(11(14)16)13-9(8-15)4-7-17-2/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,12,13)
InChIKeyDCUJGISVFDKDDM-UHFFFAOYSA-N
XLogP0.07
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-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-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 114155564
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methoxypropanoic acid
CID 81078505
2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol
CID 106186173
3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62940182
3-[(1-chloro-4-methoxybutan-2-yl)amino]-1-propan-2-ylpyrazin-2-one
CID 114211784
1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one
CID 63927744
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanamide
CID 62939329
3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one
CID 63760377
3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one
CID 114154979
2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid
CID 62478814
N-ethyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-methylpropanamide
CID 103111577
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one
CID 62940940

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one (CID 114210811) is 1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one is CCn1ccnc(NC(CO)CCOC)c1=O.
What is the InChIKey of 1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one?
The InChIKey is DCUJGISVFDKDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-14-6-5-12-10(11(14)16)13-9(8-15)4-7-17-2/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,12,13).
What are the key properties of 1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one?
1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one has a molecular weight of 241.29 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one is sourced from PubChem (CID 114210811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).