azane;1,1-diazidocyclopropane

C3H7N7 — CID 174882116

IUPACazane;1,1-diazidocyclopropane
SMILESN.[N-]=[N+]=NC1(N=[N+]=[N-])CC1
InChIInChI=1S/C3H4N6.H3N/c4-8-6-3(1-2-3)7-9-5;/h1-2H2;1H3
InChIKeyIYBRCHITTBGBJJ-UHFFFAOYSA-N
MW141.14 g/mol
LogP2.26
Rot. Bonds2

About azane;1,1-diazidocyclopropane

azane;1,1-diazidocyclopropane (PubChem CID 174882116) has the molecular formula C3H7N7 and a molecular weight of 141.14 g/mol. Its IUPAC name is azane;1,1-diazidocyclopropane.

Molecular Properties

Compound Nameazane;1,1-diazidocyclopropane
PubChem CID174882116
Molecular FormulaC3H7N7
Molecular Weight141.14 g/mol
Exact Mass141.08
IUPAC Nameazane;1,1-diazidocyclopropane
SMILESN.[N-]=[N+]=NC1(N=[N+]=[N-])CC1
InChIInChI=1S/C3H4N6.H3N/c4-8-6-3(1-2-3)7-9-5;/h1-2H2;1H3
InChIKeyIYBRCHITTBGBJJ-UHFFFAOYSA-N
XLogP2.26
TPSA132.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 azane;1,1-diazidocyclopropane 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 azane;1,1-diazidocyclopropane?
The IUPAC name of azane;1,1-diazidocyclopropane (CID 174882116) is azane;1,1-diazidocyclopropane.
What is the SMILES notation for azane;1,1-diazidocyclopropane?
The canonical SMILES for azane;1,1-diazidocyclopropane is N.[N-]=[N+]=NC1(N=[N+]=[N-])CC1.
What is the InChIKey of azane;1,1-diazidocyclopropane?
The InChIKey is IYBRCHITTBGBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N6.H3N/c4-8-6-3(1-2-3)7-9-5;/h1-2H2;1H3.
What are the key properties of azane;1,1-diazidocyclopropane?
azane;1,1-diazidocyclopropane has a molecular weight of 141.14 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,1-diazidocyclopropane is sourced from PubChem (CID 174882116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).