2,5-diazabicyclo[4.1.0]heptane;hydrochloride

C5H11ClN2 — CID 166597473

IUPAC2,5-diazabicyclo[4.1.0]heptane;hydrochloride
SMILESC1CNC2CC2N1.Cl
InChIInChI=1S/C5H10N2.ClH/c1-2-7-5-3-4(5)6-1;/h4-7H,1-3H2;1H
InChIKeyNGYHMKHYCCSRAD-UHFFFAOYSA-N
MW134.61 g/mol
LogP-0.26
Rot. Bonds

About 2,5-diazabicyclo[4.1.0]heptane;hydrochloride

2,5-diazabicyclo[4.1.0]heptane;hydrochloride (PubChem CID 166597473) has the molecular formula C5H11ClN2 and a molecular weight of 134.61 g/mol. Its IUPAC name is 2,5-diazabicyclo[4.1.0]heptane;hydrochloride.

Molecular Properties

Compound Name2,5-diazabicyclo[4.1.0]heptane;hydrochloride
PubChem CID166597473
Molecular FormulaC5H11ClN2
Molecular Weight134.61 g/mol
Exact Mass134.06
IUPAC Name2,5-diazabicyclo[4.1.0]heptane;hydrochloride
SMILESC1CNC2CC2N1.Cl
InChIInChI=1S/C5H10N2.ClH/c1-2-7-5-3-4(5)6-1;/h4-7H,1-3H2;1H
InChIKeyNGYHMKHYCCSRAD-UHFFFAOYSA-N
XLogP-0.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diazabicyclo[4.1.0]heptane;hydrochloride?
The IUPAC name of 2,5-diazabicyclo[4.1.0]heptane;hydrochloride (CID 166597473) is 2,5-diazabicyclo[4.1.0]heptane;hydrochloride.
What is the SMILES notation for 2,5-diazabicyclo[4.1.0]heptane;hydrochloride?
The canonical SMILES for 2,5-diazabicyclo[4.1.0]heptane;hydrochloride is C1CNC2CC2N1.Cl.
What is the InChIKey of 2,5-diazabicyclo[4.1.0]heptane;hydrochloride?
The InChIKey is NGYHMKHYCCSRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.ClH/c1-2-7-5-3-4(5)6-1;/h4-7H,1-3H2;1H.
What are the key properties of 2,5-diazabicyclo[4.1.0]heptane;hydrochloride?
2,5-diazabicyclo[4.1.0]heptane;hydrochloride has a molecular weight of 134.61 g/mol, XLogP of -0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diazabicyclo[4.1.0]heptane;hydrochloride is sourced from PubChem (CID 166597473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).