2,7-diazabicyclo[4.1.0]hept-1-ene;hydrazine

C5H12N4 — CID 88839526

IUPAC2,7-diazabicyclo[4.1.0]hept-1-ene;hydrazine
SMILESC1CN=C2NC2C1.NN
InChIInChI=1S/C5H8N2.H4N2/c1-2-4-5(7-4)6-3-1;1-2/h4H,1-3H2,(H,6,7);1-2H2
InChIKeyZULMJUGXMVGVHB-UHFFFAOYSA-N
MW128.18 g/mol
LogP-1.03
Rot. Bonds

About 2,7-diazabicyclo[4.1.0]hept-1-ene;hydrazine

2,7-diazabicyclo[4.1.0]hept-1-ene;hydrazine (PubChem CID 88839526) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is 2,7-diazabicyclo[4.1.0]hept-1-ene;hydrazine.

Molecular Properties

Compound Name2,7-diazabicyclo[4.1.0]hept-1-ene;hydrazine
PubChem CID88839526
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Name2,7-diazabicyclo[4.1.0]hept-1-ene;hydrazine
SMILESC1CN=C2NC2C1.NN
InChIInChI=1S/C5H8N2.H4N2/c1-2-4-5(7-4)6-3-1;1-2/h4H,1-3H2,(H,6,7);1-2H2
InChIKeyZULMJUGXMVGVHB-UHFFFAOYSA-N
XLogP-1.03
TPSA86.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-diazabicyclo[4.1.0]hept-1-ene;hydrazine?
The IUPAC name of 2,7-diazabicyclo[4.1.0]hept-1-ene;hydrazine (CID 88839526) is 2,7-diazabicyclo[4.1.0]hept-1-ene;hydrazine.
What is the SMILES notation for 2,7-diazabicyclo[4.1.0]hept-1-ene;hydrazine?
The canonical SMILES for 2,7-diazabicyclo[4.1.0]hept-1-ene;hydrazine is C1CN=C2NC2C1.NN.
What is the InChIKey of 2,7-diazabicyclo[4.1.0]hept-1-ene;hydrazine?
The InChIKey is ZULMJUGXMVGVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.H4N2/c1-2-4-5(7-4)6-3-1;1-2/h4H,1-3H2,(H,6,7);1-2H2.
What are the key properties of 2,7-diazabicyclo[4.1.0]hept-1-ene;hydrazine?
2,7-diazabicyclo[4.1.0]hept-1-ene;hydrazine has a molecular weight of 128.18 g/mol, XLogP of -1.03, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazabicyclo[4.1.0]hept-1-ene;hydrazine is sourced from PubChem (CID 88839526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).