3-(2,2-dimethylhydrazinyl)pyrazine-2-carbonitrile

C7H9N5 — CID 83016253

IUPAC3-(2,2-dimethylhydrazinyl)pyrazine-2-carbonitrile
SMILESCN(C)Nc1nccnc1C#N
InChIInChI=1S/C7H9N5/c1-12(2)11-7-6(5-8)9-3-4-10-7/h3-4H,1-2H3,(H,10,11)
InChIKeyHRTAQCZWHVIKOA-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.24
Rot. Bonds2

About 3-(2,2-dimethylhydrazinyl)pyrazine-2-carbonitrile

3-(2,2-dimethylhydrazinyl)pyrazine-2-carbonitrile (PubChem CID 83016253) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-(2,2-dimethylhydrazinyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(2,2-dimethylhydrazinyl)pyrazine-2-carbonitrile
PubChem CID83016253
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name3-(2,2-dimethylhydrazinyl)pyrazine-2-carbonitrile
SMILESCN(C)Nc1nccnc1C#N
InChIInChI=1S/C7H9N5/c1-12(2)11-7-6(5-8)9-3-4-10-7/h3-4H,1-2H3,(H,10,11)
InChIKeyHRTAQCZWHVIKOA-UHFFFAOYSA-N
XLogP0.24
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanopyrazin-2-yl)formamide
CID 55286311
3-(3-methylbutan-2-ylamino)pyrazine-2-carbonitrile
CID 62672516
2-[(3-cyanopyrazin-2-yl)amino]-N,N-dimethylpropanamide
CID 62673065
3-(3-ethylpentan-3-ylamino)pyrazine-2-carbonitrile
CID 65043823
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
CID 62674136
3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyrazine-2-carbonitrile
CID 113320120
3-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carbonitrile
CID 104828363
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile
CID 62673246
3-[2-[cyclopropyl(methyl)amino]ethylamino]pyrazine-2-carbonitrile
CID 55210942
3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyrazine-2-carbonitrile
CID 133491690
3-(2-methoxyethylamino)pyrazine-2-carbonitrile
CID 62671434
3-(2-aminopropylamino)pyrazine-2-carbonitrile
CID 63731086

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylhydrazinyl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(2,2-dimethylhydrazinyl)pyrazine-2-carbonitrile (CID 83016253) is 3-(2,2-dimethylhydrazinyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(2,2-dimethylhydrazinyl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(2,2-dimethylhydrazinyl)pyrazine-2-carbonitrile is CN(C)Nc1nccnc1C#N.
What is the InChIKey of 3-(2,2-dimethylhydrazinyl)pyrazine-2-carbonitrile?
The InChIKey is HRTAQCZWHVIKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-12(2)11-7-6(5-8)9-3-4-10-7/h3-4H,1-2H3,(H,10,11).
What are the key properties of 3-(2,2-dimethylhydrazinyl)pyrazine-2-carbonitrile?
3-(2,2-dimethylhydrazinyl)pyrazine-2-carbonitrile has a molecular weight of 163.18 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylhydrazinyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 83016253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).