4-chloro-2-[(6-hydrazinylpyrazin-2-yl)amino]benzonitrile

C11H9ClN6 — CID 80915904

IUPAC4-chloro-2-[(6-hydrazinylpyrazin-2-yl)amino]benzonitrile
SMILESN#Cc1ccc(Cl)cc1Nc1cncc(NN)n1
InChIInChI=1S/C11H9ClN6/c12-8-2-1-7(4-13)9(3-8)16-10-5-15-6-11(17-10)18-14/h1-3,5-6H,14H2,(H2,16,17,18)
InChIKeyOBQBZJHQANYRTM-UHFFFAOYSA-N
MW260.69 g/mol
LogP2.03
Rot. Bonds3

About 4-chloro-2-[(6-hydrazinylpyrazin-2-yl)amino]benzonitrile

4-chloro-2-[(6-hydrazinylpyrazin-2-yl)amino]benzonitrile (PubChem CID 80915904) has the molecular formula C11H9ClN6 and a molecular weight of 260.69 g/mol. Its IUPAC name is 4-chloro-2-[(6-hydrazinylpyrazin-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[(6-hydrazinylpyrazin-2-yl)amino]benzonitrile
PubChem CID80915904
Molecular FormulaC11H9ClN6
Molecular Weight260.69 g/mol
Exact Mass260.06
IUPAC Name4-chloro-2-[(6-hydrazinylpyrazin-2-yl)amino]benzonitrile
SMILESN#Cc1ccc(Cl)cc1Nc1cncc(NN)n1
InChIInChI=1S/C11H9ClN6/c12-8-2-1-7(4-13)9(3-8)16-10-5-15-6-11(17-10)18-14/h1-3,5-6H,14H2,(H2,16,17,18)
InChIKeyOBQBZJHQANYRTM-UHFFFAOYSA-N
XLogP2.03
TPSA99.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 52.03
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

2-[(6-aminopyrazin-2-yl)amino]-4-chlorobenzonitrile
CID 80647352
4-chloro-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80937547
2-[(6-aminopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80841289
4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile
CID 80908944
4-chloro-2-[(6-chloropyridazin-3-yl)amino]benzonitrile
CID 64918738
2-[(5-aminopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 79918602
4-chloro-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]benzonitrile
CID 80840258
2-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80841595
4-chloro-2-(2,5-dichloroanilino)benzonitrile
CID 55194781
4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
CID 64916790
2-[(3-amino-6-chloro-2-pyridinyl)amino]-4-chlorobenzonitrile
CID 115474241
4-chloro-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]benzonitrile
CID 80935656

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(6-hydrazinylpyrazin-2-yl)amino]benzonitrile?
The IUPAC name of 4-chloro-2-[(6-hydrazinylpyrazin-2-yl)amino]benzonitrile (CID 80915904) is 4-chloro-2-[(6-hydrazinylpyrazin-2-yl)amino]benzonitrile.
What is the SMILES notation for 4-chloro-2-[(6-hydrazinylpyrazin-2-yl)amino]benzonitrile?
The canonical SMILES for 4-chloro-2-[(6-hydrazinylpyrazin-2-yl)amino]benzonitrile is N#Cc1ccc(Cl)cc1Nc1cncc(NN)n1.
What is the InChIKey of 4-chloro-2-[(6-hydrazinylpyrazin-2-yl)amino]benzonitrile?
The InChIKey is OBQBZJHQANYRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6/c12-8-2-1-7(4-13)9(3-8)16-10-5-15-6-11(17-10)18-14/h1-3,5-6H,14H2,(H2,16,17,18).
What are the key properties of 4-chloro-2-[(6-hydrazinylpyrazin-2-yl)amino]benzonitrile?
4-chloro-2-[(6-hydrazinylpyrazin-2-yl)amino]benzonitrile has a molecular weight of 260.69 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(6-hydrazinylpyrazin-2-yl)amino]benzonitrile is sourced from PubChem (CID 80915904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).