4-(3-hydrazinylpyrazin-2-yl)benzonitrile

C11H9N5 — CID 112559470

IUPAC4-(3-hydrazinylpyrazin-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2nccnc2NN)cc1
InChIInChI=1S/C11H9N5/c12-7-8-1-3-9(4-2-8)10-11(16-13)15-6-5-14-10/h1-6H,13H2,(H,15,16)
InChIKeyDRBXHDIQLQWOFN-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.30
Rot. Bonds2

About 4-(3-hydrazinylpyrazin-2-yl)benzonitrile

4-(3-hydrazinylpyrazin-2-yl)benzonitrile (PubChem CID 112559470) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-(3-hydrazinylpyrazin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(3-hydrazinylpyrazin-2-yl)benzonitrile
PubChem CID112559470
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name4-(3-hydrazinylpyrazin-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2nccnc2NN)cc1
InChIInChI=1S/C11H9N5/c12-7-8-1-3-9(4-2-8)10-11(16-13)15-6-5-14-10/h1-6H,13H2,(H,15,16)
InChIKeyDRBXHDIQLQWOFN-UHFFFAOYSA-N
XLogP1.30
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydrazinylpyrazin-2-yl)benzonitrile?
The IUPAC name of 4-(3-hydrazinylpyrazin-2-yl)benzonitrile (CID 112559470) is 4-(3-hydrazinylpyrazin-2-yl)benzonitrile.
What is the SMILES notation for 4-(3-hydrazinylpyrazin-2-yl)benzonitrile?
The canonical SMILES for 4-(3-hydrazinylpyrazin-2-yl)benzonitrile is N#Cc1ccc(-c2nccnc2NN)cc1.
What is the InChIKey of 4-(3-hydrazinylpyrazin-2-yl)benzonitrile?
The InChIKey is DRBXHDIQLQWOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c12-7-8-1-3-9(4-2-8)10-11(16-13)15-6-5-14-10/h1-6H,13H2,(H,15,16).
What are the key properties of 4-(3-hydrazinylpyrazin-2-yl)benzonitrile?
4-(3-hydrazinylpyrazin-2-yl)benzonitrile has a molecular weight of 211.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydrazinylpyrazin-2-yl)benzonitrile is sourced from PubChem (CID 112559470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).