4-amino-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzonitrile

C9H9N5 — CID 143890595

IUPAC4-amino-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzonitrile
SMILES[H]/N=C/C=N\Nc1cc(N)ccc1C#N
InChIInChI=1S/C9H9N5/c10-3-4-13-14-9-5-8(12)2-1-7(9)6-11/h1-5,10,14H,12H2/b10-3+,13-4-
InChIKeyRHEOWULUBJCHBV-NCFFEOQASA-N
MW187.21 g/mol
LogP1.19
Rot. Bonds3

About 4-amino-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzonitrile

4-amino-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzonitrile (PubChem CID 143890595) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is 4-amino-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzonitrile.

Molecular Properties

Compound Name4-amino-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzonitrile
PubChem CID143890595
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC Name4-amino-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzonitrile
SMILES[H]/N=C/C=N\Nc1cc(N)ccc1C#N
InChIInChI=1S/C9H9N5/c10-3-4-13-14-9-5-8(12)2-1-7(9)6-11/h1-5,10,14H,12H2/b10-3+,13-4-
InChIKeyRHEOWULUBJCHBV-NCFFEOQASA-N
XLogP1.19
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-amino-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzonitrile?
The IUPAC name of 4-amino-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzonitrile (CID 143890595) is 4-amino-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzonitrile.
What is the SMILES notation for 4-amino-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzonitrile?
The canonical SMILES for 4-amino-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzonitrile is [H]/N=C/C=N\Nc1cc(N)ccc1C#N.
What is the InChIKey of 4-amino-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzonitrile?
The InChIKey is RHEOWULUBJCHBV-NCFFEOQASA-N. The full InChI is InChI=1S/C9H9N5/c10-3-4-13-14-9-5-8(12)2-1-7(9)6-11/h1-5,10,14H,12H2/b10-3+,13-4-.
What are the key properties of 4-amino-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzonitrile?
4-amino-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzonitrile has a molecular weight of 187.21 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzonitrile is sourced from PubChem (CID 143890595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).