3-[2-(dicyanomethylidene)hydrazinyl]-N,N,2-trimethylbenzamide

C13H13N5O — CID 169337914

IUPAC3-[2-(dicyanomethylidene)hydrazinyl]-N,N,2-trimethylbenzamide
SMILESCc1c(NN=C(C#N)C#N)cccc1C(=O)N(C)C
InChIInChI=1S/C13H13N5O/c1-9-11(13(19)18(2)3)5-4-6-12(9)17-16-10(7-14)8-15/h4-6,17H,1-3H3
InChIKeyKWBZBAMVPRPZTO-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.51
Rot. Bonds3

About 3-[2-(dicyanomethylidene)hydrazinyl]-N,N,2-trimethylbenzamide

3-[2-(dicyanomethylidene)hydrazinyl]-N,N,2-trimethylbenzamide (PubChem CID 169337914) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-[2-(dicyanomethylidene)hydrazinyl]-N,N,2-trimethylbenzamide.

Molecular Properties

Compound Name3-[2-(dicyanomethylidene)hydrazinyl]-N,N,2-trimethylbenzamide
PubChem CID169337914
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name3-[2-(dicyanomethylidene)hydrazinyl]-N,N,2-trimethylbenzamide
SMILESCc1c(NN=C(C#N)C#N)cccc1C(=O)N(C)C
InChIInChI=1S/C13H13N5O/c1-9-11(13(19)18(2)3)5-4-6-12(9)17-16-10(7-14)8-15/h4-6,17H,1-3H3
InChIKeyKWBZBAMVPRPZTO-UHFFFAOYSA-N
XLogP1.51
TPSA92.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-chloro-5-[2-(dicyanomethylidene)hydrazinyl]-N,N-dimethylbenzamide
CID 169338231
2-[2-(dicyanomethylidene)hydrazinyl]-6-methylbenzoic acid
CID 169337524
5-[2-(dicyanomethylidene)hydrazinyl]-2-methoxy-N,N-dimethylbenzamide
CID 169338345
2-[2-(dicyanomethylidene)hydrazinyl]-N-[(4-methylphenyl)methyl]benzamide
CID 169339724
2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341142
2-[[2-(piperidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile
CID 169340413
2-[[2-(pyridine-2-carbonyl)phenyl]hydrazinylidene]propanedinitrile
CID 169337755
2-[(2-fluorophenyl)hydrazinylidene]propanedinitrile
CID 4229918
3-(chloroamino)-2-hydroxy-N,N-dimethylbenzamide
CID 88939329
3-dimethylarsanyl-N,N,2-trimethylbenzamide
CID 87584443
3-[[2-(2,6-dichlorophenyl)acetyl]amino]-N,N,2-trimethylbenzamide
CID 131902894
2-[(3-methyl-1H-indol-7-yl)hydrazinylidene]propanedinitrile
CID 169337941

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dicyanomethylidene)hydrazinyl]-N,N,2-trimethylbenzamide?
The IUPAC name of 3-[2-(dicyanomethylidene)hydrazinyl]-N,N,2-trimethylbenzamide (CID 169337914) is 3-[2-(dicyanomethylidene)hydrazinyl]-N,N,2-trimethylbenzamide.
What is the SMILES notation for 3-[2-(dicyanomethylidene)hydrazinyl]-N,N,2-trimethylbenzamide?
The canonical SMILES for 3-[2-(dicyanomethylidene)hydrazinyl]-N,N,2-trimethylbenzamide is Cc1c(NN=C(C#N)C#N)cccc1C(=O)N(C)C.
What is the InChIKey of 3-[2-(dicyanomethylidene)hydrazinyl]-N,N,2-trimethylbenzamide?
The InChIKey is KWBZBAMVPRPZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-9-11(13(19)18(2)3)5-4-6-12(9)17-16-10(7-14)8-15/h4-6,17H,1-3H3.
What are the key properties of 3-[2-(dicyanomethylidene)hydrazinyl]-N,N,2-trimethylbenzamide?
3-[2-(dicyanomethylidene)hydrazinyl]-N,N,2-trimethylbenzamide has a molecular weight of 255.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dicyanomethylidene)hydrazinyl]-N,N,2-trimethylbenzamide is sourced from PubChem (CID 169337914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).