2-[[4-(azepan-1-yl)-2,1,3-benzoxadiazol-7-yl]hydrazinylidene]propanedinitrile

C15H15N7O — CID 169340242

IUPAC2-[[4-(azepan-1-yl)-2,1,3-benzoxadiazol-7-yl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(N2CCCCCC2)c2nonc12
InChIInChI=1S/C15H15N7O/c16-9-11(10-17)18-19-12-5-6-13(15-14(12)20-23-21-15)22-7-3-1-2-4-8-22/h5-6,19H,1-4,7-8H2
InChIKeyOHXZAGQOWQUVNI-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.42
Rot. Bonds3

About 2-[[4-(azepan-1-yl)-2,1,3-benzoxadiazol-7-yl]hydrazinylidene]propanedinitrile

2-[[4-(azepan-1-yl)-2,1,3-benzoxadiazol-7-yl]hydrazinylidene]propanedinitrile (PubChem CID 169340242) has the molecular formula C15H15N7O and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[[4-(azepan-1-yl)-2,1,3-benzoxadiazol-7-yl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[4-(azepan-1-yl)-2,1,3-benzoxadiazol-7-yl]hydrazinylidene]propanedinitrile
PubChem CID169340242
Molecular FormulaC15H15N7O
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name2-[[4-(azepan-1-yl)-2,1,3-benzoxadiazol-7-yl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(N2CCCCCC2)c2nonc12
InChIInChI=1S/C15H15N7O/c16-9-11(10-17)18-19-12-5-6-13(15-14(12)20-23-21-15)22-7-3-1-2-4-8-22/h5-6,19H,1-4,7-8H2
InChIKeyOHXZAGQOWQUVNI-UHFFFAOYSA-N
XLogP2.42
TPSA114.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
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'}

Analyze 2-[[4-(azepan-1-yl)-2,1,3-benzoxadiazol-7-yl]hydrazinylidene]propanedinitrile 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

4-(azepan-1-yl)-3-[2-(dicyanomethylidene)hydrazinyl]benzoic acid
CID 169338216
2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile
CID 169338596
4-(azepan-1-yl)-2,1,3-benzoxadiazol-7-amine
CID 16640650
1-(2-fluorophenyl)-3-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)urea
CID 17174433
2-[(5-bromo-2-morpholin-4-ylphenyl)hydrazinylidene]propanedinitrile
CID 169341352
2-[(5-chloro-2-morpholin-4-ylphenyl)hydrazinylidene]propanedinitrile
CID 169339155
1-methyl-4-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazole-5-carboxylic acid
CID 19496427
2-[3-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19501985
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)cyclopentanecarboxamide
CID 752810
2-[[2-(piperidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile
CID 169340413
2-[(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)hydrazinylidene]propanedinitrile
CID 169340570
ethyl 1-[2-[2-(dicyanomethylidene)hydrazinyl]phenyl]piperidine-4-carboxylate
CID 169342070

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(azepan-1-yl)-2,1,3-benzoxadiazol-7-yl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[4-(azepan-1-yl)-2,1,3-benzoxadiazol-7-yl]hydrazinylidene]propanedinitrile (CID 169340242) is 2-[[4-(azepan-1-yl)-2,1,3-benzoxadiazol-7-yl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[4-(azepan-1-yl)-2,1,3-benzoxadiazol-7-yl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[4-(azepan-1-yl)-2,1,3-benzoxadiazol-7-yl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc(N2CCCCCC2)c2nonc12.
What is the InChIKey of 2-[[4-(azepan-1-yl)-2,1,3-benzoxadiazol-7-yl]hydrazinylidene]propanedinitrile?
The InChIKey is OHXZAGQOWQUVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O/c16-9-11(10-17)18-19-12-5-6-13(15-14(12)20-23-21-15)22-7-3-1-2-4-8-22/h5-6,19H,1-4,7-8H2.
What are the key properties of 2-[[4-(azepan-1-yl)-2,1,3-benzoxadiazol-7-yl]hydrazinylidene]propanedinitrile?
2-[[4-(azepan-1-yl)-2,1,3-benzoxadiazol-7-yl]hydrazinylidene]propanedinitrile has a molecular weight of 309.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(azepan-1-yl)-2,1,3-benzoxadiazol-7-yl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169340242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).