hydrazine diisocyanate

C2H4N4O2-2 — CID 21493304

IUPAChydrazine diisocyanate
SMILESNN.[N-]=C=O.[N-]=C=O
InChIInChI=1S/2CNO.H4N2/c2*2-1-3;1-2/h;;1-2H2/q2*-1;
InChIKeyDBTHLKCCFUYHMN-UHFFFAOYSA-N
MW116.08 g/mol
LogP-1.40
Rot. Bonds

About hydrazine diisocyanate

hydrazine diisocyanate (PubChem CID 21493304) has the molecular formula C2H4N4O2-2 and a molecular weight of 116.08 g/mol. Its IUPAC name is hydrazine diisocyanate.

Molecular Properties

Compound Namehydrazine diisocyanate
PubChem CID21493304
Molecular FormulaC2H4N4O2-2
Molecular Weight116.08 g/mol
Exact Mass116.03
IUPAC Namehydrazine diisocyanate
SMILESNN.[N-]=C=O.[N-]=C=O
InChIInChI=1S/2CNO.H4N2/c2*2-1-3;1-2/h;;1-2H2/q2*-1;
InChIKeyDBTHLKCCFUYHMN-UHFFFAOYSA-N
XLogP-1.40
TPSA130.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.08
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 18764448
CID 18764448
CID 159379523
CID 159379523
dicesium diisocyanate
CID 158783329
zirconium(4+) tetraisocyanate
CID 161118534
sulfane isocyanate
CID 23503952
azane isocyanate
CID 22114493
ruthenium(1+) isocyanate
CID 150299846
cerium(3+) triisocyanate
CID 141389401
sodium;dichloride;isocyanate
CID 18324615
iron(2+);nickel(2+);tetraisocyanate
CID 175341368
methane;phosphane;diisocyanate
CID 21425418
chromium(3+);iron(2+);pentaisocyanate
CID 175385630

Frequently Asked Questions

What is the IUPAC name of hydrazine diisocyanate?
The IUPAC name of hydrazine diisocyanate (CID 21493304) is hydrazine diisocyanate.
What is the SMILES notation for hydrazine diisocyanate?
The canonical SMILES for hydrazine diisocyanate is NN.[N-]=C=O.[N-]=C=O.
What is the InChIKey of hydrazine diisocyanate?
The InChIKey is DBTHLKCCFUYHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/2CNO.H4N2/c2*2-1-3;1-2/h;;1-2H2/q2*-1;.
What are the key properties of hydrazine diisocyanate?
hydrazine diisocyanate has a molecular weight of 116.08 g/mol, XLogP of -1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine diisocyanate is sourced from PubChem (CID 21493304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).