5-cyclopropyl-1,2-diazabicyclo[2.1.0]penta-2,4-diene

C6H6N2 — CID 174562234

IUPAC5-cyclopropyl-1,2-diazabicyclo[2.1.0]penta-2,4-diene
SMILESc1nn2c(C3CC3)c1-2
InChIInChI=1S/C6H6N2/c1-2-4(1)6-5-3-7-8(5)6/h3-4H,1-2H2
InChIKeyQFGJEIIYUUIZQI-UHFFFAOYSA-N
MW106.13 g/mol
LogP1.06
Rot. Bonds1

About 5-cyclopropyl-1,2-diazabicyclo[2.1.0]penta-2,4-diene

5-cyclopropyl-1,2-diazabicyclo[2.1.0]penta-2,4-diene (PubChem CID 174562234) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is 5-cyclopropyl-1,2-diazabicyclo[2.1.0]penta-2,4-diene.

Molecular Properties

Compound Name5-cyclopropyl-1,2-diazabicyclo[2.1.0]penta-2,4-diene
PubChem CID174562234
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name5-cyclopropyl-1,2-diazabicyclo[2.1.0]penta-2,4-diene
SMILESc1nn2c(C3CC3)c1-2
InChIInChI=1S/C6H6N2/c1-2-4(1)6-5-3-7-8(5)6/h3-4H,1-2H2
InChIKeyQFGJEIIYUUIZQI-UHFFFAOYSA-N
XLogP1.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1,2-diazabicyclo[2.1.0]penta-2,4-diene?
The IUPAC name of 5-cyclopropyl-1,2-diazabicyclo[2.1.0]penta-2,4-diene (CID 174562234) is 5-cyclopropyl-1,2-diazabicyclo[2.1.0]penta-2,4-diene.
What is the SMILES notation for 5-cyclopropyl-1,2-diazabicyclo[2.1.0]penta-2,4-diene?
The canonical SMILES for 5-cyclopropyl-1,2-diazabicyclo[2.1.0]penta-2,4-diene is c1nn2c(C3CC3)c1-2.
What is the InChIKey of 5-cyclopropyl-1,2-diazabicyclo[2.1.0]penta-2,4-diene?
The InChIKey is QFGJEIIYUUIZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2/c1-2-4(1)6-5-3-7-8(5)6/h3-4H,1-2H2.
What are the key properties of 5-cyclopropyl-1,2-diazabicyclo[2.1.0]penta-2,4-diene?
5-cyclopropyl-1,2-diazabicyclo[2.1.0]penta-2,4-diene has a molecular weight of 106.13 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1,2-diazabicyclo[2.1.0]penta-2,4-diene is sourced from PubChem (CID 174562234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).