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

C9H13N3O3 — CID 43500503

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H13N3O3/c1-9(2,5-13)12-8(15)6-3-11-7(14)4-10-6/h3-4,13H,5H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyLUKVEFRDLGWGGY-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.73
Rot. Bonds3

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

N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 43500503) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID43500503
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H13N3O3/c1-9(2,5-13)12-8(15)6-3-11-7(14)4-10-6/h3-4,13H,5H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyLUKVEFRDLGWGGY-UHFFFAOYSA-N
XLogP-0.73
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 107483149
N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide
CID 113351102
N-(3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43500339
N-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43500413
N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43501009
N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43501040
N-(2-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43501130
5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrazin-2-one
CID 43501386
N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide
CID 43572995
N-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43577018
N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide
CID 54916099
N-(2-hydroxyethyl)-6-oxo-N-pentan-3-yl-1H-pyrazine-3-carboxamide
CID 54994476

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide (CID 43500503) is N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide is CC(C)(CO)NC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is LUKVEFRDLGWGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-9(2,5-13)12-8(15)6-3-11-7(14)4-10-6/h3-4,13H,5H2,1-2H3,(H,11,14)(H,12,15).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 43500503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).