3-(1-hydrazinylethyl)benzonitrile

C9H11N3 — CID 63990931

IUPAC3-(1-hydrazinylethyl)benzonitrile
SMILESCC(NN)c1cccc(C#N)c1
InChIInChI=1S/C9H11N3/c1-7(12-11)9-4-2-3-8(5-9)6-10/h2-5,7,12H,11H2,1H3
InChIKeyNFDNPYRAXJKVOW-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.08
Rot. Bonds2

About 3-(1-hydrazinylethyl)benzonitrile

3-(1-hydrazinylethyl)benzonitrile (PubChem CID 63990931) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 3-(1-hydrazinylethyl)benzonitrile.

Molecular Properties

Compound Name3-(1-hydrazinylethyl)benzonitrile
PubChem CID63990931
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name3-(1-hydrazinylethyl)benzonitrile
SMILESCC(NN)c1cccc(C#N)c1
InChIInChI=1S/C9H11N3/c1-7(12-11)9-4-2-3-8(5-9)6-10/h2-5,7,12H,11H2,1H3
InChIKeyNFDNPYRAXJKVOW-UHFFFAOYSA-N
XLogP1.08
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-[1-(cyanomethylamino)ethyl]benzonitrile
CID 130736059
3-[1-(1-phenylethylamino)ethyl]benzonitrile
CID 43755971
3-[(1R)-1-(ethylamino)ethyl]benzonitrile
CID 93280862
3-[1-(3-cyanoanilino)ethyl]benzonitrile
CID 43762552
3-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]benzonitrile
CID 81364071
3-[1-[[(1R)-1-(3-bromophenyl)ethyl]amino]ethyl]benzonitrile
CID 81382624
3-[1-[1-(3-hydroxyphenyl)ethylamino]ethyl]benzonitrile
CID 43791627
3-[1-(4-methylpentan-2-ylamino)ethyl]benzonitrile
CID 43775771
3-[1-[(3-methyl-2-propan-2-ylbutyl)amino]ethyl]benzonitrile
CID 102903956
3-[1-(cyclobutylmethylamino)ethyl]benzonitrile
CID 43775260
3-[1-(cyclohexylmethylamino)ethyl]benzonitrile
CID 43775658
3-[1-(2,4,6-trimethylanilino)ethyl]benzonitrile
CID 60924468

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydrazinylethyl)benzonitrile?
The IUPAC name of 3-(1-hydrazinylethyl)benzonitrile (CID 63990931) is 3-(1-hydrazinylethyl)benzonitrile.
What is the SMILES notation for 3-(1-hydrazinylethyl)benzonitrile?
The canonical SMILES for 3-(1-hydrazinylethyl)benzonitrile is CC(NN)c1cccc(C#N)c1.
What is the InChIKey of 3-(1-hydrazinylethyl)benzonitrile?
The InChIKey is NFDNPYRAXJKVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-7(12-11)9-4-2-3-8(5-9)6-10/h2-5,7,12H,11H2,1H3.
What are the key properties of 3-(1-hydrazinylethyl)benzonitrile?
3-(1-hydrazinylethyl)benzonitrile has a molecular weight of 161.21 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydrazinylethyl)benzonitrile is sourced from PubChem (CID 63990931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).