2-amino-5-[(phenylhydrazinylidene)methyl]benzonitrile

C14H12N4 — CID 169384043

IUPAC2-amino-5-[(phenylhydrazinylidene)methyl]benzonitrile
SMILESN#Cc1cc(C=NNc2ccccc2)ccc1N
InChIInChI=1S/C14H12N4/c15-9-12-8-11(6-7-14(12)16)10-17-18-13-4-2-1-3-5-13/h1-8,10,18H,16H2
InChIKeyQXESMKYDZGCZEU-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.59
Rot. Bonds3

About 2-amino-5-[(phenylhydrazinylidene)methyl]benzonitrile

2-amino-5-[(phenylhydrazinylidene)methyl]benzonitrile (PubChem CID 169384043) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-amino-5-[(phenylhydrazinylidene)methyl]benzonitrile.

Molecular Properties

Compound Name2-amino-5-[(phenylhydrazinylidene)methyl]benzonitrile
PubChem CID169384043
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name2-amino-5-[(phenylhydrazinylidene)methyl]benzonitrile
SMILESN#Cc1cc(C=NNc2ccccc2)ccc1N
InChIInChI=1S/C14H12N4/c15-9-12-8-11(6-7-14(12)16)10-17-18-13-4-2-1-3-5-13/h1-8,10,18H,16H2
InChIKeyQXESMKYDZGCZEU-UHFFFAOYSA-N
XLogP2.59
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

2-(dimethylamino)-5-[(phenylhydrazinylidene)methyl]benzonitrile
CID 169383843
N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
CID 6107807
2-[(4-amino-3-cyanophenyl)methylideneamino]guanidine
CID 168591340
2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile
CID 6054346
3,5-dichloro-4-[(phenylhydrazinylidene)methyl]benzonitrile
CID 169383531
2-amino-5-formylbenzonitrile
CID 15067194
N-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
tert-butyl 4-[2-cyano-4-[(phenylhydrazinylidene)methyl]phenyl]piperazine-1-carboxylate
CID 169384001
4-[(E)-(phenylhydrazinylidene)methyl]benzenecarbothioamide
CID 54604425
3-nitro-5-[(E)-(phenylhydrazinylidene)methyl]aniline
CID 12808213
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
4-nitro-5-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-dicarbonitrile
CID 51138518

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(phenylhydrazinylidene)methyl]benzonitrile?
The IUPAC name of 2-amino-5-[(phenylhydrazinylidene)methyl]benzonitrile (CID 169384043) is 2-amino-5-[(phenylhydrazinylidene)methyl]benzonitrile.
What is the SMILES notation for 2-amino-5-[(phenylhydrazinylidene)methyl]benzonitrile?
The canonical SMILES for 2-amino-5-[(phenylhydrazinylidene)methyl]benzonitrile is N#Cc1cc(C=NNc2ccccc2)ccc1N.
What is the InChIKey of 2-amino-5-[(phenylhydrazinylidene)methyl]benzonitrile?
The InChIKey is QXESMKYDZGCZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c15-9-12-8-11(6-7-14(12)16)10-17-18-13-4-2-1-3-5-13/h1-8,10,18H,16H2.
What are the key properties of 2-amino-5-[(phenylhydrazinylidene)methyl]benzonitrile?
2-amino-5-[(phenylhydrazinylidene)methyl]benzonitrile has a molecular weight of 236.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(phenylhydrazinylidene)methyl]benzonitrile is sourced from PubChem (CID 169384043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).