2-[1-(azidomethyl)cyclopropyl]acetonitrile

C6H8N4 — CID 65498011

IUPAC2-[1-(azidomethyl)cyclopropyl]acetonitrile
SMILESN#CCC1(CN=[N+]=[N-])CC1
InChIInChI=1S/C6H8N4/c7-4-3-6(1-2-6)5-9-10-8/h1-3,5H2
InChIKeyCTFPBUNDUKVJKK-UHFFFAOYSA-N
MW136.16 g/mol
LogP1.99
Rot. Bonds3

About 2-[1-(azidomethyl)cyclopropyl]acetonitrile

2-[1-(azidomethyl)cyclopropyl]acetonitrile (PubChem CID 65498011) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 2-[1-(azidomethyl)cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-(azidomethyl)cyclopropyl]acetonitrile
PubChem CID65498011
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name2-[1-(azidomethyl)cyclopropyl]acetonitrile
SMILESN#CCC1(CN=[N+]=[N-])CC1
InChIInChI=1S/C6H8N4/c7-4-3-6(1-2-6)5-9-10-8/h1-3,5H2
InChIKeyCTFPBUNDUKVJKK-UHFFFAOYSA-N
XLogP1.99
TPSA72.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[1-(azidomethyl)cyclopropyl]acetonitrile 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 2-[1-(azidomethyl)cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-(azidomethyl)cyclopropyl]acetonitrile (CID 65498011) is 2-[1-(azidomethyl)cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-(azidomethyl)cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-(azidomethyl)cyclopropyl]acetonitrile is N#CCC1(CN=[N+]=[N-])CC1.
What is the InChIKey of 2-[1-(azidomethyl)cyclopropyl]acetonitrile?
The InChIKey is CTFPBUNDUKVJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c7-4-3-6(1-2-6)5-9-10-8/h1-3,5H2.
What are the key properties of 2-[1-(azidomethyl)cyclopropyl]acetonitrile?
2-[1-(azidomethyl)cyclopropyl]acetonitrile has a molecular weight of 136.16 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azidomethyl)cyclopropyl]acetonitrile is sourced from PubChem (CID 65498011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).