2-[[3-chloro-4-(dimethylamino)phenyl]hydrazinylidene]propanedinitrile

C11H10ClN5 — CID 169337979

IUPAC2-[[3-chloro-4-(dimethylamino)phenyl]hydrazinylidene]propanedinitrile
SMILESCN(C)c1ccc(NN=C(C#N)C#N)cc1Cl
InChIInChI=1S/C11H10ClN5/c1-17(2)11-4-3-8(5-10(11)12)15-16-9(6-13)7-14/h3-5,15H,1-2H3
InChIKeyWTMRHFPGSVVLIC-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.22
Rot. Bonds3

About 2-[[3-chloro-4-(dimethylamino)phenyl]hydrazinylidene]propanedinitrile

2-[[3-chloro-4-(dimethylamino)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169337979) has the molecular formula C11H10ClN5 and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-[[3-chloro-4-(dimethylamino)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[3-chloro-4-(dimethylamino)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169337979
Molecular FormulaC11H10ClN5
Molecular Weight247.69 g/mol
Exact Mass247.06
IUPAC Name2-[[3-chloro-4-(dimethylamino)phenyl]hydrazinylidene]propanedinitrile
SMILESCN(C)c1ccc(NN=C(C#N)C#N)cc1Cl
InChIInChI=1S/C11H10ClN5/c1-17(2)11-4-3-8(5-10(11)12)15-16-9(6-13)7-14/h3-5,15H,1-2H3
InChIKeyWTMRHFPGSVVLIC-UHFFFAOYSA-N
XLogP2.22
TPSA75.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'cyano_imine_B(17)', '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-[[3-(dimethylamino)-4-methylphenyl]hydrazinylidene]propanedinitrile
CID 169340067
2-chloro-5-[2-(dicyanomethylidene)hydrazinyl]-N,N-dimethylbenzamide
CID 169338231
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile
CID 169337793
5-[2-(dicyanomethylidene)hydrazinyl]-2-methoxy-N,N-dimethylbenzamide
CID 169338345
2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
CID 169337336
2-[[3-chloro-4-(3,4-dimethylphenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339212
N-[2-chloro-4-[2-(dicyanomethylidene)hydrazinyl]phenyl]butanamide
CID 169339175
2-[(3-chloro-4-imidazol-1-ylphenyl)hydrazinylidene]propanedinitrile
CID 169338632
3-[3-chloro-4-(dimethylamino)anilino]-2-methylbutan-2-ol
CID 65338206
2-[(4-fluorophenyl)hydrazinylidene]propanedinitrile
CID 832904
2-[(4-ethylphenyl)hydrazinylidene]propanedinitrile
CID 169341976

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-4-(dimethylamino)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[3-chloro-4-(dimethylamino)phenyl]hydrazinylidene]propanedinitrile (CID 169337979) is 2-[[3-chloro-4-(dimethylamino)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[3-chloro-4-(dimethylamino)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[3-chloro-4-(dimethylamino)phenyl]hydrazinylidene]propanedinitrile is CN(C)c1ccc(NN=C(C#N)C#N)cc1Cl.
What is the InChIKey of 2-[[3-chloro-4-(dimethylamino)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is WTMRHFPGSVVLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5/c1-17(2)11-4-3-8(5-10(11)12)15-16-9(6-13)7-14/h3-5,15H,1-2H3.
What are the key properties of 2-[[3-chloro-4-(dimethylamino)phenyl]hydrazinylidene]propanedinitrile?
2-[[3-chloro-4-(dimethylamino)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 247.69 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-4-(dimethylamino)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169337979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).