4-hydroxy-3-imino-6-(2-methoxyphenyl)pyrazine-2-carbonitrile

C12H10N4O2 — CID 5239973

IUPAC4-hydroxy-3-imino-6-(2-methoxyphenyl)pyrazine-2-carbonitrile
SMILES[H]/N=c1\c(C#N)nc(-c2ccccc2OC)cn1O
InChIInChI=1S/C12H10N4O2/c1-18-11-5-3-2-4-8(11)10-7-16(17)12(14)9(6-13)15-10/h2-5,7,14,17H,1H3/b14-12+
InChIKeyNGYWTSXGUDJUJV-WYMLVPIESA-N
MW242.24 g/mol
LogP1.15
Rot. Bonds2

About 4-hydroxy-3-imino-6-(2-methoxyphenyl)pyrazine-2-carbonitrile

4-hydroxy-3-imino-6-(2-methoxyphenyl)pyrazine-2-carbonitrile (PubChem CID 5239973) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 4-hydroxy-3-imino-6-(2-methoxyphenyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-3-imino-6-(2-methoxyphenyl)pyrazine-2-carbonitrile
PubChem CID5239973
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name4-hydroxy-3-imino-6-(2-methoxyphenyl)pyrazine-2-carbonitrile
SMILES[H]/N=c1\c(C#N)nc(-c2ccccc2OC)cn1O
InChIInChI=1S/C12H10N4O2/c1-18-11-5-3-2-4-8(11)10-7-16(17)12(14)9(6-13)15-10/h2-5,7,14,17H,1H3/b14-12+
InChIKeyNGYWTSXGUDJUJV-WYMLVPIESA-N
XLogP1.15
TPSA94.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile
CID 82452851
2,9-bis(2-methoxyphenyl)-1,10-phenanthroline
CID 10691911
6-(2-methoxyphenyl)pyridine-2-carboximidamide
CID 14281216
5-(2-methoxyphenyl)-1-methylpyrrole-2,3-diimine
CID 166105355
2-[6-(2-methoxyphenyl)-3-pyridinyl]acetonitrile
CID 117001949
4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile
CID 3721414
[6-(2-methoxyphenyl)-2-pyridinyl]methanol
CID 24730094
6-(2-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile
CID 39380251
2-(2-methoxyphenyl)-6-(6-phenyl-2-pyridinyl)pyridine
CID 23135803
2-(2-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 18822634
8-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridine
CID 117137670
2-(2-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-amine
CID 168901558

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-imino-6-(2-methoxyphenyl)pyrazine-2-carbonitrile?
The IUPAC name of 4-hydroxy-3-imino-6-(2-methoxyphenyl)pyrazine-2-carbonitrile (CID 5239973) is 4-hydroxy-3-imino-6-(2-methoxyphenyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 4-hydroxy-3-imino-6-(2-methoxyphenyl)pyrazine-2-carbonitrile?
The canonical SMILES for 4-hydroxy-3-imino-6-(2-methoxyphenyl)pyrazine-2-carbonitrile is [H]/N=c1\c(C#N)nc(-c2ccccc2OC)cn1O.
What is the InChIKey of 4-hydroxy-3-imino-6-(2-methoxyphenyl)pyrazine-2-carbonitrile?
The InChIKey is NGYWTSXGUDJUJV-WYMLVPIESA-N. The full InChI is InChI=1S/C12H10N4O2/c1-18-11-5-3-2-4-8(11)10-7-16(17)12(14)9(6-13)15-10/h2-5,7,14,17H,1H3/b14-12+.
What are the key properties of 4-hydroxy-3-imino-6-(2-methoxyphenyl)pyrazine-2-carbonitrile?
4-hydroxy-3-imino-6-(2-methoxyphenyl)pyrazine-2-carbonitrile has a molecular weight of 242.24 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-imino-6-(2-methoxyphenyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 5239973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).