1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one

C16H27N3O2 — CID 133439346

IUPAC1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one
SMILESCCC(CC)C1CC(Nc2nccn(CC)c2=O)CCO1
InChIInChI=1S/C16H27N3O2/c1-4-12(5-2)14-11-13(7-10-21-14)18-15-16(20)19(6-3)9-8-17-15/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,17,18)
InChIKeyNMQLLBYCKJKSBW-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.66
Rot. Bonds6

About 1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one

1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one (PubChem CID 133439346) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one
PubChem CID133439346
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one
SMILESCCC(CC)C1CC(Nc2nccn(CC)c2=O)CCO1
InChIInChI=1S/C16H27N3O2/c1-4-12(5-2)14-11-13(7-10-21-14)18-15-16(20)19(6-3)9-8-17-15/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,17,18)
InChIKeyNMQLLBYCKJKSBW-UHFFFAOYSA-N
XLogP2.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3-[(2-pentan-3-yloxan-4-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-[(2-cyclopropyloxan-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 133473466
5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133461839
2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide
CID 133440405
1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one
CID 113349521
3-nitro-2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-4-carbonitrile
CID 133441647
5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133440380
1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one
CID 124515152
3-[(2-methyloxolan-3-yl)amino]-1-propylpyrazin-2-one
CID 82728930
3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid
CID 167780781
N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 133440410
N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide
CID 99781873
1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 133440412

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one (CID 133439346) is 1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one is CCC(CC)C1CC(Nc2nccn(CC)c2=O)CCO1.
What is the InChIKey of 1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one?
The InChIKey is NMQLLBYCKJKSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-12(5-2)14-11-13(7-10-21-14)18-15-16(20)19(6-3)9-8-17-15/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,17,18).
What are the key properties of 1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one?
1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one has a molecular weight of 293.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one is sourced from PubChem (CID 133439346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).