3-butoxy-6-methoxy-1H-pyrazin-2-one

C9H14N2O3 — CID 20528980

IUPAC3-butoxy-6-methoxy-1H-pyrazin-2-one
SMILESCCCCOc1ncc(OC)[nH]c1=O
InChIInChI=1S/C9H14N2O3/c1-3-4-5-14-9-8(12)11-7(13-2)6-10-9/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyWZMGEWWCRVRILY-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.96
Rot. Bonds5

About 3-butoxy-6-methoxy-1H-pyrazin-2-one

3-butoxy-6-methoxy-1H-pyrazin-2-one (PubChem CID 20528980) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-butoxy-6-methoxy-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-butoxy-6-methoxy-1H-pyrazin-2-one
PubChem CID20528980
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-butoxy-6-methoxy-1H-pyrazin-2-one
SMILESCCCCOc1ncc(OC)[nH]c1=O
InChIInChI=1S/C9H14N2O3/c1-3-4-5-14-9-8(12)11-7(13-2)6-10-9/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyWZMGEWWCRVRILY-UHFFFAOYSA-N
XLogP0.96
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-6-methoxy-1H-pyrazin-2-one
CID 168950726
5-methoxy-6-pentyl-1H-pyrazin-2-one
CID 169246543
2-butoxy-3,5-dichloropyridin-4-amine
CID 21388649
5-bromo-4-butoxy-6-methyl-1H-pyrimidin-2-one
CID 102529566
3-butoxy-6-sulfanyl-1H-pyridazin-4-one
CID 173439516
5-fluoro-2-hexadecoxy-1H-pyrimidin-6-one
CID 13061618
2-decoxy-5-fluoro-1H-pyrimidin-6-one
CID 12783680
5-chloro-4-pentoxy-1H-pyridazin-6-one
CID 58896774
2-butoxy-1H-imidazol-5-amine
CID 155046336
5-hexoxy-2-methylsulfanyl-1H-pyrimidin-6-one
CID 5083711
3-pentoxy-1,4-benzodiazepin-2-one
CID 70541203
(3Z,6Z)-3-[(4-hexoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
CID 67601643

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-6-methoxy-1H-pyrazin-2-one?
The IUPAC name of 3-butoxy-6-methoxy-1H-pyrazin-2-one (CID 20528980) is 3-butoxy-6-methoxy-1H-pyrazin-2-one.
What is the SMILES notation for 3-butoxy-6-methoxy-1H-pyrazin-2-one?
The canonical SMILES for 3-butoxy-6-methoxy-1H-pyrazin-2-one is CCCCOc1ncc(OC)[nH]c1=O.
What is the InChIKey of 3-butoxy-6-methoxy-1H-pyrazin-2-one?
The InChIKey is WZMGEWWCRVRILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-4-5-14-9-8(12)11-7(13-2)6-10-9/h6H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 3-butoxy-6-methoxy-1H-pyrazin-2-one?
3-butoxy-6-methoxy-1H-pyrazin-2-one has a molecular weight of 198.22 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-6-methoxy-1H-pyrazin-2-one is sourced from PubChem (CID 20528980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).