2-[[2-[(3-cyanophenyl)methyl]hydrazinyl]methyl]benzonitrile

C16H14N4 — CID 90896173

IUPAC2-[[2-[(3-cyanophenyl)methyl]hydrazinyl]methyl]benzonitrile
SMILESN#Cc1cccc(CNNCc2ccccc2C#N)c1
InChIInChI=1S/C16H14N4/c17-9-13-4-3-5-14(8-13)11-19-20-12-16-7-2-1-6-15(16)10-18/h1-8,19-20H,11-12H2
InChIKeyUHBGTHPMJDKSAC-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.22
Rot. Bonds5

About 2-[[2-[(3-cyanophenyl)methyl]hydrazinyl]methyl]benzonitrile

2-[[2-[(3-cyanophenyl)methyl]hydrazinyl]methyl]benzonitrile (PubChem CID 90896173) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-[[2-[(3-cyanophenyl)methyl]hydrazinyl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-[(3-cyanophenyl)methyl]hydrazinyl]methyl]benzonitrile
PubChem CID90896173
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-[[2-[(3-cyanophenyl)methyl]hydrazinyl]methyl]benzonitrile
SMILESN#Cc1cccc(CNNCc2ccccc2C#N)c1
InChIInChI=1S/C16H14N4/c17-9-13-4-3-5-14(8-13)11-19-20-12-16-7-2-1-6-15(16)10-18/h1-8,19-20H,11-12H2
InChIKeyUHBGTHPMJDKSAC-UHFFFAOYSA-N
XLogP2.22
TPSA71.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[(3-chloro-2-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 112554070
3-[(pyrimidin-5-ylmethylamino)methyl]benzonitrile
CID 55110281
3-[[[2-(cyanomethoxy)phenyl]methylamino]methyl]benzonitrile
CID 60917756
3-[(2-aminoethylamino)methyl]benzonitrile
CID 60887559
5-bromo-2-[(3-cyanophenyl)methylamino]benzonitrile
CID 82708745
3-[(1,1-difluoropropan-2-ylamino)methyl]benzonitrile
CID 102869098
3-propylbenzonitrile
CID 18415311
4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63883271
3-[[(2,4,5-trimethylphenyl)methylamino]methyl]benzonitrile
CID 60756328
3-[[(3,5-dimethylphenyl)methylamino]methyl]benzonitrile
CID 54980443
3-[(2,2-dimethylpropylamino)methyl]benzonitrile
CID 61166413
3-(phosphanylmethyl)benzonitrile
CID 143041927

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-cyanophenyl)methyl]hydrazinyl]methyl]benzonitrile?
The IUPAC name of 2-[[2-[(3-cyanophenyl)methyl]hydrazinyl]methyl]benzonitrile (CID 90896173) is 2-[[2-[(3-cyanophenyl)methyl]hydrazinyl]methyl]benzonitrile.
What is the SMILES notation for 2-[[2-[(3-cyanophenyl)methyl]hydrazinyl]methyl]benzonitrile?
The canonical SMILES for 2-[[2-[(3-cyanophenyl)methyl]hydrazinyl]methyl]benzonitrile is N#Cc1cccc(CNNCc2ccccc2C#N)c1.
What is the InChIKey of 2-[[2-[(3-cyanophenyl)methyl]hydrazinyl]methyl]benzonitrile?
The InChIKey is UHBGTHPMJDKSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c17-9-13-4-3-5-14(8-13)11-19-20-12-16-7-2-1-6-15(16)10-18/h1-8,19-20H,11-12H2.
What are the key properties of 2-[[2-[(3-cyanophenyl)methyl]hydrazinyl]methyl]benzonitrile?
2-[[2-[(3-cyanophenyl)methyl]hydrazinyl]methyl]benzonitrile has a molecular weight of 262.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-cyanophenyl)methyl]hydrazinyl]methyl]benzonitrile is sourced from PubChem (CID 90896173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).