4-(3-cyanopropyldiazenyl)butanenitrile;methanol

C9H16N4O — CID 87250010

IUPAC4-(3-cyanopropyldiazenyl)butanenitrile;methanol
SMILESCO.N#CCCC/N=N/CCCC#N
InChIInChI=1S/C8H12N4.CH4O/c9-5-1-3-7-11-12-8-4-2-6-10;1-2/h1-4,7-8H2;2H,1H3/b12-11+;
InChIKeyVQMGLQFAYOQZKM-CALJPSDSSA-N
MW196.25 g/mol
LogP1.65
Rot. Bonds6

About 4-(3-cyanopropyldiazenyl)butanenitrile;methanol

4-(3-cyanopropyldiazenyl)butanenitrile;methanol (PubChem CID 87250010) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(3-cyanopropyldiazenyl)butanenitrile;methanol.

Molecular Properties

Compound Name4-(3-cyanopropyldiazenyl)butanenitrile;methanol
PubChem CID87250010
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-(3-cyanopropyldiazenyl)butanenitrile;methanol
SMILESCO.N#CCCC/N=N/CCCC#N
InChIInChI=1S/C8H12N4.CH4O/c9-5-1-3-7-11-12-8-4-2-6-10;1-2/h1-4,7-8H2;2H,1H3/b12-11+;
InChIKeyVQMGLQFAYOQZKM-CALJPSDSSA-N
XLogP1.65
TPSA92.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-(3-cyanopropyldiazenyl)butanenitrile;methanol 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

henicosanedinitrile
CID 87345062
ethane;5-hydroxypentanenitrile
CID 144859936
2-(4-cyanobutyl)guanidine
CID 131086878
5-hydroxy-5-methylhexanenitrile
CID 19885706
octadecanenitrile
CID 12532
butanenitrile;methanol;zirconium
CID 139936681
undecanenitrile
CID 16722
N,N-dimethylacetamide;hexanedinitrile
CID 163600575
(5E)-5-hydroxyiminopentanenitrile
CID 10011867
S-(10-cyanodecyl) ethanethioate
CID 538176
6-methylheptanenitrile
CID 22036153
4-hydroperoxybutanenitrile
CID 56625619

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanopropyldiazenyl)butanenitrile;methanol?
The IUPAC name of 4-(3-cyanopropyldiazenyl)butanenitrile;methanol (CID 87250010) is 4-(3-cyanopropyldiazenyl)butanenitrile;methanol.
What is the SMILES notation for 4-(3-cyanopropyldiazenyl)butanenitrile;methanol?
The canonical SMILES for 4-(3-cyanopropyldiazenyl)butanenitrile;methanol is CO.N#CCCC/N=N/CCCC#N.
What is the InChIKey of 4-(3-cyanopropyldiazenyl)butanenitrile;methanol?
The InChIKey is VQMGLQFAYOQZKM-CALJPSDSSA-N. The full InChI is InChI=1S/C8H12N4.CH4O/c9-5-1-3-7-11-12-8-4-2-6-10;1-2/h1-4,7-8H2;2H,1H3/b12-11+;.
What are the key properties of 4-(3-cyanopropyldiazenyl)butanenitrile;methanol?
4-(3-cyanopropyldiazenyl)butanenitrile;methanol has a molecular weight of 196.25 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanopropyldiazenyl)butanenitrile;methanol is sourced from PubChem (CID 87250010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).