2-oxo-5-propoxy-1H-pyrazine-3-carboxamide

C8H11N3O3 — CID 156787812

IUPAC2-oxo-5-propoxy-1H-pyrazine-3-carboxamide
SMILESCCCOc1c[nH]c(=O)c(C(N)=O)n1
InChIInChI=1S/C8H11N3O3/c1-2-3-14-5-4-10-8(13)6(11-5)7(9)12/h4H,2-3H2,1H3,(H2,9,12)(H,10,13)
InChIKeyQMRHYQAJDOWCFQ-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.34
Rot. Bonds4

About 2-oxo-5-propoxy-1H-pyrazine-3-carboxamide

2-oxo-5-propoxy-1H-pyrazine-3-carboxamide (PubChem CID 156787812) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-oxo-5-propoxy-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-5-propoxy-1H-pyrazine-3-carboxamide
PubChem CID156787812
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-oxo-5-propoxy-1H-pyrazine-3-carboxamide
SMILESCCCOc1c[nH]c(=O)c(C(N)=O)n1
InChIInChI=1S/C8H11N3O3/c1-2-3-14-5-4-10-8(13)6(11-5)7(9)12/h4H,2-3H2,1H3,(H2,9,12)(H,10,13)
InChIKeyQMRHYQAJDOWCFQ-UHFFFAOYSA-N
XLogP-0.34
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-propoxy-1H-pyrazine-3-carboxamide?
The IUPAC name of 2-oxo-5-propoxy-1H-pyrazine-3-carboxamide (CID 156787812) is 2-oxo-5-propoxy-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 2-oxo-5-propoxy-1H-pyrazine-3-carboxamide?
The canonical SMILES for 2-oxo-5-propoxy-1H-pyrazine-3-carboxamide is CCCOc1c[nH]c(=O)c(C(N)=O)n1.
What is the InChIKey of 2-oxo-5-propoxy-1H-pyrazine-3-carboxamide?
The InChIKey is QMRHYQAJDOWCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-2-3-14-5-4-10-8(13)6(11-5)7(9)12/h4H,2-3H2,1H3,(H2,9,12)(H,10,13).
What are the key properties of 2-oxo-5-propoxy-1H-pyrazine-3-carboxamide?
2-oxo-5-propoxy-1H-pyrazine-3-carboxamide has a molecular weight of 197.19 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-propoxy-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 156787812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).