1,1-diazidoethane

C2H4N6 — CID 57220591

IUPAC1,1-diazidoethane
SMILESCC(N=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/C2H4N6/c1-2(5-7-3)6-8-4/h2H,1H3
InChIKeySIMSDIVPQRMJTO-UHFFFAOYSA-N
MW112.10 g/mol
LogP1.95
Rot. Bonds2

About 1,1-diazidoethane

1,1-diazidoethane (PubChem CID 57220591) has the molecular formula C2H4N6 and a molecular weight of 112.10 g/mol. Its IUPAC name is 1,1-diazidoethane.

Molecular Properties

Compound Name1,1-diazidoethane
PubChem CID57220591
Molecular FormulaC2H4N6
Molecular Weight112.10 g/mol
Exact Mass112.05
IUPAC Name1,1-diazidoethane
SMILESCC(N=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/C2H4N6/c1-2(5-7-3)6-8-4/h2H,1H3
InChIKeySIMSDIVPQRMJTO-UHFFFAOYSA-N
XLogP1.95
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.10
LogP ≤ 51.95
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'}

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Related Compounds

Ethane, azido-
CID 79118
3-methyl-3H-diazirine
CID 6420208
Diazidopropane
CID 13760789
5-methyl-5H-tetrazole
CID 10129893
Methyl-[1-(methyldiazenyl)ethyl]diazene
CID 20450541
(E)-azido-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-(ethyldiazenyl)diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazene
CID 57836563
(Ethyliminohydrazinylidene)azanide
CID 58596428
CID 59509168
CID 59509168
Ethyl-[(methyldiazenyl)methyl]diazene
CID 59513145
1-Azido-2-deuterioethane
CID 59601599
2,5-dimethyl-5H-tetrazol-2-ium
CID 60040100
Ethyl-(methyldiazenyl)diazene
CID 88409102

Frequently Asked Questions

What is the IUPAC name of 1,1-diazidoethane?
The IUPAC name of 1,1-diazidoethane (CID 57220591) is 1,1-diazidoethane.
What is the SMILES notation for 1,1-diazidoethane?
The canonical SMILES for 1,1-diazidoethane is CC(N=[N+]=[N-])N=[N+]=[N-].
What is the InChIKey of 1,1-diazidoethane?
The InChIKey is SIMSDIVPQRMJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N6/c1-2(5-7-3)6-8-4/h2H,1H3.
What are the key properties of 1,1-diazidoethane?
1,1-diazidoethane has a molecular weight of 112.10 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diazidoethane is sourced from PubChem (CID 57220591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).