7-[2-(dicyanomethylidene)hydrazinyl]naphthalene-1,3-disulfonic acid

C13H8N4O6S2 — CID 169337655

IUPAC7-[2-(dicyanomethylidene)hydrazinyl]naphthalene-1,3-disulfonic acid
SMILESN#CC(C#N)=NNc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1
InChIInChI=1S/C13H8N4O6S2/c14-6-10(7-15)17-16-9-2-1-8-3-11(24(18,19)20)5-13(12(8)4-9)25(21,22)23/h1-5,16H,(H,18,19,20)(H,21,22,23)
InChIKeyYEAQWIMOJVSRJC-UHFFFAOYSA-N
MW380.36 g/mol
LogP1.15
Rot. Bonds4

About 7-[2-(dicyanomethylidene)hydrazinyl]naphthalene-1,3-disulfonic acid

7-[2-(dicyanomethylidene)hydrazinyl]naphthalene-1,3-disulfonic acid (PubChem CID 169337655) has the molecular formula C13H8N4O6S2 and a molecular weight of 380.36 g/mol. Its IUPAC name is 7-[2-(dicyanomethylidene)hydrazinyl]naphthalene-1,3-disulfonic acid.

Molecular Properties

Compound Name7-[2-(dicyanomethylidene)hydrazinyl]naphthalene-1,3-disulfonic acid
PubChem CID169337655
Molecular FormulaC13H8N4O6S2
Molecular Weight380.36 g/mol
Exact Mass379.99
IUPAC Name7-[2-(dicyanomethylidene)hydrazinyl]naphthalene-1,3-disulfonic acid
SMILESN#CC(C#N)=NNc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1
InChIInChI=1S/C13H8N4O6S2/c14-6-10(7-15)17-16-9-2-1-8-3-11(24(18,19)20)5-13(12(8)4-9)25(21,22)23/h1-5,16H,(H,18,19,20)(H,21,22,23)
InChIKeyYEAQWIMOJVSRJC-UHFFFAOYSA-N
XLogP1.15
TPSA180.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 7-[2-(dicyanomethylidene)hydrazinyl]naphthalene-1,3-disulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-aminonaphthalene-1,3-disulfonic acid;tetrahydrate
CID 76962518
2-[(2-oxo-1H-quinolin-7-yl)hydrazinylidene]propanedinitrile
CID 169340145
7-[[3-[[3-[[3-[[3-[(6,8-disulfonaphthalen-2-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3-disulfonic acid
CID 11788083
6-(ethylamino)naphthalene-1,3-disulfonic acid
CID 139646524
4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile
CID 169337793
4-methyl-6-(methylamino)naphthalene-2-sulfonic acid
CID 54239227
N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide
CID 169337738
2-[2-(dicyanomethylidene)hydrazinyl]-3,5-dimethylbenzenesulfonic acid
CID 169341716
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic acid
CID 169341790
7-[(6-fluoro-1H-triazin-2-yl)amino]naphthalene-1,3-disulfonic acid
CID 173374842
4-hydroxy-6-(1-hydroxyethylamino)naphthalene-2-sulfonic acid
CID 88791911

Frequently Asked Questions

What is the IUPAC name of 7-[2-(dicyanomethylidene)hydrazinyl]naphthalene-1,3-disulfonic acid?
The IUPAC name of 7-[2-(dicyanomethylidene)hydrazinyl]naphthalene-1,3-disulfonic acid (CID 169337655) is 7-[2-(dicyanomethylidene)hydrazinyl]naphthalene-1,3-disulfonic acid.
What is the SMILES notation for 7-[2-(dicyanomethylidene)hydrazinyl]naphthalene-1,3-disulfonic acid?
The canonical SMILES for 7-[2-(dicyanomethylidene)hydrazinyl]naphthalene-1,3-disulfonic acid is N#CC(C#N)=NNc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1.
What is the InChIKey of 7-[2-(dicyanomethylidene)hydrazinyl]naphthalene-1,3-disulfonic acid?
The InChIKey is YEAQWIMOJVSRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O6S2/c14-6-10(7-15)17-16-9-2-1-8-3-11(24(18,19)20)5-13(12(8)4-9)25(21,22)23/h1-5,16H,(H,18,19,20)(H,21,22,23).
What are the key properties of 7-[2-(dicyanomethylidene)hydrazinyl]naphthalene-1,3-disulfonic acid?
7-[2-(dicyanomethylidene)hydrazinyl]naphthalene-1,3-disulfonic acid has a molecular weight of 380.36 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(dicyanomethylidene)hydrazinyl]naphthalene-1,3-disulfonic acid is sourced from PubChem (CID 169337655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).