5-methoxy-1-(2-methylpropyl)pyrazin-2-one

C9H14N2O2 — CID 19739905

IUPAC5-methoxy-1-(2-methylpropyl)pyrazin-2-one
SMILESCOc1cn(CC(C)C)c(=O)cn1
InChIInChI=1S/C9H14N2O2/c1-7(2)5-11-6-8(13-3)10-4-9(11)12/h4,6-7H,5H2,1-3H3
InChIKeySRDWYSUDZPBAPG-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.91
Rot. Bonds3

About 5-methoxy-1-(2-methylpropyl)pyrazin-2-one

5-methoxy-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 19739905) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-methoxy-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name5-methoxy-1-(2-methylpropyl)pyrazin-2-one
PubChem CID19739905
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-methoxy-1-(2-methylpropyl)pyrazin-2-one
SMILESCOc1cn(CC(C)C)c(=O)cn1
InChIInChI=1S/C9H14N2O2/c1-7(2)5-11-6-8(13-3)10-4-9(11)12/h4,6-7H,5H2,1-3H3
InChIKeySRDWYSUDZPBAPG-UHFFFAOYSA-N
XLogP0.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-isopentyl-2(1H)-pyrazinone
CID 6428852
1-(2-Methylpropyl)pyrazin-2-one
CID 58125219
1-(5-ethoxy-2H-pyrazin-1-yl)ethanone
CID 118169220
5-Methoxy-1-(2-methylpropyl)-4-oxidopyrazin-4-ium-2-one
CID 140367448
5-Bromo-1-isobutylpyrazin-2(1H)-one
CID 124926911
1-(3-Ethoxypropyl)pyrazin-2-one
CID 167773929

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 5-methoxy-1-(2-methylpropyl)pyrazin-2-one (CID 19739905) is 5-methoxy-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 5-methoxy-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 5-methoxy-1-(2-methylpropyl)pyrazin-2-one is COc1cn(CC(C)C)c(=O)cn1.
What is the InChIKey of 5-methoxy-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is SRDWYSUDZPBAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(2)5-11-6-8(13-3)10-4-9(11)12/h4,6-7H,5H2,1-3H3.
What are the key properties of 5-methoxy-1-(2-methylpropyl)pyrazin-2-one?
5-methoxy-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 19739905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).