N-deuteriopyrazine-2-carboxamide

C5H5N3O — CID 175943999

IUPACN-deuteriopyrazine-2-carboxamide
SMILES[2H]NC(=O)c1cnccn1
InChIInChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)/i/hD
InChIKeyIPEHBUMCGVEMRF-DYCDLGHISA-N
MW124.12 g/mol
LogP-0.42
Rot. Bonds1

About N-deuteriopyrazine-2-carboxamide

N-deuteriopyrazine-2-carboxamide (PubChem CID 175943999) has the molecular formula C5H5N3O and a molecular weight of 124.12 g/mol. Its IUPAC name is N-deuteriopyrazine-2-carboxamide.

Molecular Properties

Compound NameN-deuteriopyrazine-2-carboxamide
PubChem CID175943999
Molecular FormulaC5H5N3O
Molecular Weight124.12 g/mol
Exact Mass124.05
IUPAC NameN-deuteriopyrazine-2-carboxamide
SMILES[2H]NC(=O)c1cnccn1
InChIInChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)/i/hD
InChIKeyIPEHBUMCGVEMRF-DYCDLGHISA-N
XLogP-0.42
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.12
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tetrakis(pyrazine-2-carboxylic acid);zirconium
CID 172643699
platinum(2+);bis(pyrazine-2-carboxylic acid);dichloride
CID 54591628
potassium;hydride;pyrazine-2-carboxylic acid
CID 174693780
bis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139203790
pyrazine-2-carbothioic S-acid
CID 87249006
amino pyrazine-2-carboxylate
CID 67878279
pyrazine;pyrazine-2-carbonitrile;pyrazine-2-carboxamide
CID 159756851
2-amino-1-pyrazin-2-ylpropan-1-one
CID 82594837
pyrazin-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 114973069
amino(diaminomethylidene)azanium;pyrazine-2-carboxylate
CID 155803285
2-methyl-1-pyrazin-2-ylpropan-1-one
CID 538058
silyl pyrazine-2-carboxylate
CID 137330489

Frequently Asked Questions

What is the IUPAC name of N-deuteriopyrazine-2-carboxamide?
The IUPAC name of N-deuteriopyrazine-2-carboxamide (CID 175943999) is N-deuteriopyrazine-2-carboxamide.
What is the SMILES notation for N-deuteriopyrazine-2-carboxamide?
The canonical SMILES for N-deuteriopyrazine-2-carboxamide is [2H]NC(=O)c1cnccn1.
What is the InChIKey of N-deuteriopyrazine-2-carboxamide?
The InChIKey is IPEHBUMCGVEMRF-DYCDLGHISA-N. The full InChI is InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)/i/hD.
What are the key properties of N-deuteriopyrazine-2-carboxamide?
N-deuteriopyrazine-2-carboxamide has a molecular weight of 124.12 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-deuteriopyrazine-2-carboxamide is sourced from PubChem (CID 175943999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).