N-(3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide

C8H11N3O3 — CID 43500339

IUPACN-(3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESO=C(NCCCO)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H11N3O3/c12-3-1-2-9-8(14)6-4-11-7(13)5-10-6/h4-5,12H,1-3H2,(H,9,14)(H,11,13)
InChIKeyBPAREVYPQHBDJK-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.12
Rot. Bonds4

About N-(3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide

N-(3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 43500339) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID43500339
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN-(3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESO=C(NCCCO)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H11N3O3/c12-3-1-2-9-8(14)6-4-11-7(13)5-10-6/h4-5,12H,1-3H2,(H,9,14)(H,11,13)
InChIKeyBPAREVYPQHBDJK-UHFFFAOYSA-N
XLogP-1.12
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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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-propyl-1H-pyrazine-3-carboxamide
CID 108474666
(Z)-3-amino-N-(3-hydroxypropyl)-2-(methylamino)prop-2-enamide
CID 143915729
6-oxo-N-propyl-1H-pyrazine-2-carboxamide
CID 173000031
3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789464
N-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43500413
N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43500503
N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43501009

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide (CID 43500339) is N-(3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide is O=C(NCCCO)c1c[nH]c(=O)cn1.
What is the InChIKey of N-(3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is BPAREVYPQHBDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-3-1-2-9-8(14)6-4-11-7(13)5-10-6/h4-5,12H,1-3H2,(H,9,14)(H,11,13).
What are the key properties of N-(3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide?
N-(3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 197.19 g/mol, XLogP of -1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 43500339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).