3,3-bis(azidomethyl)pentanedinitrile

C7H8N8 — CID 15219459

IUPAC3,3-bis(azidomethyl)pentanedinitrile
SMILESN#CCC(CC#N)(CN=[N+]=[N-])CN=[N+]=[N-]
InChIInChI=1S/C7H8N8/c8-3-1-7(2-4-9,5-12-14-10)6-13-15-11/h1-2,5-6H2
InChIKeyVLWAKYKGQQGZFY-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.42
Rot. Bonds6

About 3,3-bis(azidomethyl)pentanedinitrile

3,3-bis(azidomethyl)pentanedinitrile (PubChem CID 15219459) has the molecular formula C7H8N8 and a molecular weight of 204.20 g/mol. Its IUPAC name is 3,3-bis(azidomethyl)pentanedinitrile.

Molecular Properties

Compound Name3,3-bis(azidomethyl)pentanedinitrile
PubChem CID15219459
Molecular FormulaC7H8N8
Molecular Weight204.20 g/mol
Exact Mass204.09
IUPAC Name3,3-bis(azidomethyl)pentanedinitrile
SMILESN#CCC(CC#N)(CN=[N+]=[N-])CN=[N+]=[N-]
InChIInChI=1S/C7H8N8/c8-3-1-7(2-4-9,5-12-14-10)6-13-15-11/h1-2,5-6H2
InChIKeyVLWAKYKGQQGZFY-UHFFFAOYSA-N
XLogP2.42
TPSA145.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 3,3-bis(azidomethyl)pentanedinitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(azidomethyl)pentanedinitrile?
The IUPAC name of 3,3-bis(azidomethyl)pentanedinitrile (CID 15219459) is 3,3-bis(azidomethyl)pentanedinitrile.
What is the SMILES notation for 3,3-bis(azidomethyl)pentanedinitrile?
The canonical SMILES for 3,3-bis(azidomethyl)pentanedinitrile is N#CCC(CC#N)(CN=[N+]=[N-])CN=[N+]=[N-].
What is the InChIKey of 3,3-bis(azidomethyl)pentanedinitrile?
The InChIKey is VLWAKYKGQQGZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N8/c8-3-1-7(2-4-9,5-12-14-10)6-13-15-11/h1-2,5-6H2.
What are the key properties of 3,3-bis(azidomethyl)pentanedinitrile?
3,3-bis(azidomethyl)pentanedinitrile has a molecular weight of 204.20 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(azidomethyl)pentanedinitrile is sourced from PubChem (CID 15219459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).