4-(4-methanehydrazonoyl-N-methylanilino)benzonitrile

C15H14N4 — CID 168530991

IUPAC4-(4-methanehydrazonoyl-N-methylanilino)benzonitrile
SMILESCN(c1ccc(C#N)cc1)c1ccc(C=NN)cc1
InChIInChI=1S/C15H14N4/c1-19(14-6-2-12(10-16)3-7-14)15-8-4-13(5-9-15)11-18-17/h2-9,11H,17H2,1H3
InChIKeyNLJCHSSKEGHUIG-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.62
Rot. Bonds3

About 4-(4-methanehydrazonoyl-N-methylanilino)benzonitrile

4-(4-methanehydrazonoyl-N-methylanilino)benzonitrile (PubChem CID 168530991) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-(4-methanehydrazonoyl-N-methylanilino)benzonitrile.

Molecular Properties

Compound Name4-(4-methanehydrazonoyl-N-methylanilino)benzonitrile
PubChem CID168530991
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name4-(4-methanehydrazonoyl-N-methylanilino)benzonitrile
SMILESCN(c1ccc(C#N)cc1)c1ccc(C=NN)cc1
InChIInChI=1S/C15H14N4/c1-19(14-6-2-12(10-16)3-7-14)15-8-4-13(5-9-15)11-18-17/h2-9,11H,17H2,1H3
InChIKeyNLJCHSSKEGHUIG-UHFFFAOYSA-N
XLogP2.62
TPSA65.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

4-[N-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]benzonitrile
CID 168619054
4-(2-chloro-4-formyl-N-methylanilino)benzonitrile
CID 81145323
4-(ethyliminomethyl)benzonitrile
CID 12927009
3-(4-methanehydrazonoylphenyl)benzonitrile
CID 168529651
2-amino-1-(4-cyanophenyl)-1-methylguanidine
CID 77054083
4-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]benzonitrile
CID 121013328
4-[[ethyl-(4-methylphenyl)hydrazinylidene]methyl]benzonitrile
CID 71903233
4-[(E)-2-(dimethylamino)ethenyl]benzonitrile
CID 75481575
sodium 4-[(Z)-oxidoiminomethyl]benzonitrile
CID 101116891
5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile
CID 103468332
4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile
CID 46837999
4-[bis(trimethylsilyl)amino]benzonitrile
CID 66606543

Frequently Asked Questions

What is the IUPAC name of 4-(4-methanehydrazonoyl-N-methylanilino)benzonitrile?
The IUPAC name of 4-(4-methanehydrazonoyl-N-methylanilino)benzonitrile (CID 168530991) is 4-(4-methanehydrazonoyl-N-methylanilino)benzonitrile.
What is the SMILES notation for 4-(4-methanehydrazonoyl-N-methylanilino)benzonitrile?
The canonical SMILES for 4-(4-methanehydrazonoyl-N-methylanilino)benzonitrile is CN(c1ccc(C#N)cc1)c1ccc(C=NN)cc1.
What is the InChIKey of 4-(4-methanehydrazonoyl-N-methylanilino)benzonitrile?
The InChIKey is NLJCHSSKEGHUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-19(14-6-2-12(10-16)3-7-14)15-8-4-13(5-9-15)11-18-17/h2-9,11H,17H2,1H3.
What are the key properties of 4-(4-methanehydrazonoyl-N-methylanilino)benzonitrile?
4-(4-methanehydrazonoyl-N-methylanilino)benzonitrile has a molecular weight of 250.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methanehydrazonoyl-N-methylanilino)benzonitrile is sourced from PubChem (CID 168530991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).