2,3,4,5-tetrahydro-1H-diazonine

C7H12N2 — CID 67177720

IUPAC2,3,4,5-tetrahydro-1H-diazonine
SMILESC1=CCCCNNC=C1
InChIInChI=1S/C7H12N2/c1-2-4-6-8-9-7-5-3-1/h1-2,4,6,8-9H,3,5,7H2
InChIKeyZLJKRACBFAPFLZ-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.94
Rot. Bonds

About 2,3,4,5-tetrahydro-1H-diazonine

2,3,4,5-tetrahydro-1H-diazonine (PubChem CID 67177720) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1H-diazonine.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1H-diazonine
PubChem CID67177720
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2,3,4,5-tetrahydro-1H-diazonine
SMILESC1=CCCCNNC=C1
InChIInChI=1S/C7H12N2/c1-2-4-6-8-9-7-5-3-1/h1-2,4,6,8-9H,3,5,7H2
InChIKeyZLJKRACBFAPFLZ-UHFFFAOYSA-N
XLogP0.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1H-diazonine?
The IUPAC name of 2,3,4,5-tetrahydro-1H-diazonine (CID 67177720) is 2,3,4,5-tetrahydro-1H-diazonine.
What is the SMILES notation for 2,3,4,5-tetrahydro-1H-diazonine?
The canonical SMILES for 2,3,4,5-tetrahydro-1H-diazonine is C1=CCCCNNC=C1.
What is the InChIKey of 2,3,4,5-tetrahydro-1H-diazonine?
The InChIKey is ZLJKRACBFAPFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-4-6-8-9-7-5-3-1/h1-2,4,6,8-9H,3,5,7H2.
What are the key properties of 2,3,4,5-tetrahydro-1H-diazonine?
2,3,4,5-tetrahydro-1H-diazonine has a molecular weight of 124.19 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1H-diazonine is sourced from PubChem (CID 67177720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).