5-bromo-6-deuterio-2-oxo-1H-pyrazine-3-carboxamide

C5H4BrN3O2 — CID 154572854

IUPAC5-bromo-6-deuterio-2-oxo-1H-pyrazine-3-carboxamide
SMILES[2H]c1[nH]c(=O)c(C(N)=O)nc1Br
InChIInChI=1S/C5H4BrN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)/i1D
InChIKeyKZBREXQQUFIWKD-MICDWDOJSA-N
MW219.02 g/mol
LogP-0.37
Rot. Bonds1

About 5-bromo-6-deuterio-2-oxo-1H-pyrazine-3-carboxamide

5-bromo-6-deuterio-2-oxo-1H-pyrazine-3-carboxamide (PubChem CID 154572854) has the molecular formula C5H4BrN3O2 and a molecular weight of 219.02 g/mol. Its IUPAC name is 5-bromo-6-deuterio-2-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-6-deuterio-2-oxo-1H-pyrazine-3-carboxamide
PubChem CID154572854
Molecular FormulaC5H4BrN3O2
Molecular Weight219.02 g/mol
Exact Mass217.95
IUPAC Name5-bromo-6-deuterio-2-oxo-1H-pyrazine-3-carboxamide
SMILES[2H]c1[nH]c(=O)c(C(N)=O)nc1Br
InChIInChI=1S/C5H4BrN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)/i1D
InChIKeyKZBREXQQUFIWKD-MICDWDOJSA-N
XLogP-0.37
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.02
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-deuterio-2-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of 5-bromo-6-deuterio-2-oxo-1H-pyrazine-3-carboxamide (CID 154572854) is 5-bromo-6-deuterio-2-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 5-bromo-6-deuterio-2-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for 5-bromo-6-deuterio-2-oxo-1H-pyrazine-3-carboxamide is [2H]c1[nH]c(=O)c(C(N)=O)nc1Br.
What is the InChIKey of 5-bromo-6-deuterio-2-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is KZBREXQQUFIWKD-MICDWDOJSA-N. The full InChI is InChI=1S/C5H4BrN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)/i1D.
What are the key properties of 5-bromo-6-deuterio-2-oxo-1H-pyrazine-3-carboxamide?
5-bromo-6-deuterio-2-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 219.02 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-deuterio-2-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 154572854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).