4-hydroxy-3-imino-6-methylpyrazine-2-carbonitrile

C6H6N4O — CID 15618961

IUPAC4-hydroxy-3-imino-6-methylpyrazine-2-carbonitrile
SMILES[H]/N=c1\c(C#N)nc(C)cn1O
InChIInChI=1S/C6H6N4O/c1-4-3-10(11)6(8)5(2-7)9-4/h3,8,11H,1H3/b8-6+
InChIKeyLOUMHCRSPDRZLU-SOFGYWHQSA-N
MW150.14 g/mol
LogP-0.22
Rot. Bonds

About 4-hydroxy-3-imino-6-methylpyrazine-2-carbonitrile

4-hydroxy-3-imino-6-methylpyrazine-2-carbonitrile (PubChem CID 15618961) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 4-hydroxy-3-imino-6-methylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-3-imino-6-methylpyrazine-2-carbonitrile
PubChem CID15618961
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name4-hydroxy-3-imino-6-methylpyrazine-2-carbonitrile
SMILES[H]/N=c1\c(C#N)nc(C)cn1O
InChIInChI=1S/C6H6N4O/c1-4-3-10(11)6(8)5(2-7)9-4/h3,8,11H,1H3/b8-6+
InChIKeyLOUMHCRSPDRZLU-SOFGYWHQSA-N
XLogP-0.22
TPSA85.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-imino-6-methylpyrazine-2-carbonitrile?
The IUPAC name of 4-hydroxy-3-imino-6-methylpyrazine-2-carbonitrile (CID 15618961) is 4-hydroxy-3-imino-6-methylpyrazine-2-carbonitrile.
What is the SMILES notation for 4-hydroxy-3-imino-6-methylpyrazine-2-carbonitrile?
The canonical SMILES for 4-hydroxy-3-imino-6-methylpyrazine-2-carbonitrile is [H]/N=c1\c(C#N)nc(C)cn1O.
What is the InChIKey of 4-hydroxy-3-imino-6-methylpyrazine-2-carbonitrile?
The InChIKey is LOUMHCRSPDRZLU-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H6N4O/c1-4-3-10(11)6(8)5(2-7)9-4/h3,8,11H,1H3/b8-6+.
What are the key properties of 4-hydroxy-3-imino-6-methylpyrazine-2-carbonitrile?
4-hydroxy-3-imino-6-methylpyrazine-2-carbonitrile has a molecular weight of 150.14 g/mol, XLogP of -0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-imino-6-methylpyrazine-2-carbonitrile is sourced from PubChem (CID 15618961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).