N-(2-cyano-3-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide

C13H12N6O — CID 107801459

IUPACN-(2-cyano-3-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(NN)cn2)c1C#N
InChIInChI=1S/C13H12N6O/c1-8-3-2-4-10(9(8)5-14)18-13(20)11-6-17-12(19-15)7-16-11/h2-4,6-7H,15H2,1H3,(H,17,19)(H,18,20)
InChIKeyIKCBFRQHZHGAMB-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.19
Rot. Bonds3

About N-(2-cyano-3-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide

N-(2-cyano-3-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide (PubChem CID 107801459) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(2-cyano-3-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide
PubChem CID107801459
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC NameN-(2-cyano-3-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(NN)cn2)c1C#N
InChIInChI=1S/C13H12N6O/c1-8-3-2-4-10(9(8)5-14)18-13(20)11-6-17-12(19-15)7-16-11/h2-4,6-7H,15H2,1H3,(H,17,19)(H,18,20)
InChIKeyIKCBFRQHZHGAMB-UHFFFAOYSA-N
XLogP1.19
TPSA116.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107801438
6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107800327
N-(2-cyano-3-methylphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 107801443
5-hydrazinyl-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107378263
5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 107801317
5-hydrazinyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 107377417
5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294656
4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide
CID 114003049
3-amino-N-(2-cyano-3-methylphenyl)-2-hydroxybenzamide
CID 107802431
N-(2-cyano-3-methylphenyl)-4-iodobenzamide
CID 113241623
4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide
CID 107802373
N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109290955

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide?
The IUPAC name of N-(2-cyano-3-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide (CID 107801459) is N-(2-cyano-3-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide.
What is the SMILES notation for N-(2-cyano-3-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide?
The canonical SMILES for N-(2-cyano-3-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide is Cc1cccc(NC(=O)c2cnc(NN)cn2)c1C#N.
What is the InChIKey of N-(2-cyano-3-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide?
The InChIKey is IKCBFRQHZHGAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-8-3-2-4-10(9(8)5-14)18-13(20)11-6-17-12(19-15)7-16-11/h2-4,6-7H,15H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(2-cyano-3-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide?
N-(2-cyano-3-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide is sourced from PubChem (CID 107801459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).