5-methoxy-6-pentyl-1H-pyrazin-2-one

C10H16N2O2 — CID 169246543

IUPAC5-methoxy-6-pentyl-1H-pyrazin-2-one
SMILESCCCCCc1[nH]c(=O)cnc1OC
InChIInChI=1S/C10H16N2O2/c1-3-4-5-6-8-10(14-2)11-7-9(13)12-8/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyKZLHIIZGJOIDGU-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.51
Rot. Bonds5

About 5-methoxy-6-pentyl-1H-pyrazin-2-one

5-methoxy-6-pentyl-1H-pyrazin-2-one (PubChem CID 169246543) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-methoxy-6-pentyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-methoxy-6-pentyl-1H-pyrazin-2-one
PubChem CID169246543
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-methoxy-6-pentyl-1H-pyrazin-2-one
SMILESCCCCCc1[nH]c(=O)cnc1OC
InChIInChI=1S/C10H16N2O2/c1-3-4-5-6-8-10(14-2)11-7-9(13)12-8/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyKZLHIIZGJOIDGU-UHFFFAOYSA-N
XLogP1.51
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(6-oxo-2-pentyl-1H-pyrazin-3-yl)oxy]-1-pentyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione
CID 129260624
3-butoxy-6-methoxy-1H-pyrazin-2-one
CID 20528980
2-decyl-3-methoxypyrazine
CID 528301
5-chloro-6-ethyl-1H-pyrazin-2-one
CID 59830260
5-butyl-1H-pyrazin-2-one
CID 126979895
4-methyl-5-pentyl-1,3-dihydroimidazol-2-one
CID 13478903
butane;7-methoxy-1H-quinoxalin-2-one
CID 143376014
2-methoxy-4-methyl-3-nitro-5-propylpyridine
CID 146699888
2-hexyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 15294744
2-heptyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 175827210
4,5-dipentyl-1H-pyrazole
CID 66669086
4,5-dipentyl-1H-imidazole
CID 66778912

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-pentyl-1H-pyrazin-2-one?
The IUPAC name of 5-methoxy-6-pentyl-1H-pyrazin-2-one (CID 169246543) is 5-methoxy-6-pentyl-1H-pyrazin-2-one.
What is the SMILES notation for 5-methoxy-6-pentyl-1H-pyrazin-2-one?
The canonical SMILES for 5-methoxy-6-pentyl-1H-pyrazin-2-one is CCCCCc1[nH]c(=O)cnc1OC.
What is the InChIKey of 5-methoxy-6-pentyl-1H-pyrazin-2-one?
The InChIKey is KZLHIIZGJOIDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-4-5-6-8-10(14-2)11-7-9(13)12-8/h7H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 5-methoxy-6-pentyl-1H-pyrazin-2-one?
5-methoxy-6-pentyl-1H-pyrazin-2-one has a molecular weight of 196.25 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-pentyl-1H-pyrazin-2-one is sourced from PubChem (CID 169246543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).