N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide

C8H11N3O3 — CID 43501040

IUPACN-(1-hydroxypropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC(CO)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H11N3O3/c1-5(4-12)11-8(14)6-2-10-7(13)3-9-6/h2-3,5,12H,4H2,1H3,(H,10,13)(H,11,14)
InChIKeyFOCDVNKGNJCJLY-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.12
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide

N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 43501040) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID43501040
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN-(1-hydroxypropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC(CO)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H11N3O3/c1-5(4-12)11-8(14)6-2-10-7(13)3-9-6/h2-3,5,12H,4H2,1H3,(H,10,13)(H,11,14)
InChIKeyFOCDVNKGNJCJLY-UHFFFAOYSA-N
XLogP-1.12
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 103770025
N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 104857122
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 107483149
6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazine-3-carboxamide
CID 113249099
N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide
CID 113351102
6-oxo-N-propan-2-yl-1H-pyrazine-2-carboxamide
CID 172999875
(2R)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789556
(2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789558
(2R)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28790343
(2S)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28790345
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 43211062
3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 43211168

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide (CID 43501040) is N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide is CC(CO)NC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is FOCDVNKGNJCJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5(4-12)11-8(14)6-2-10-7(13)3-9-6/h2-3,5,12H,4H2,1H3,(H,10,13)(H,11,14).
What are the key properties of N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide?
N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 197.19 g/mol, XLogP of -1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 43501040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).