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

C6H8N2 — CID 155057395

IUPAC2-propan-2-yl-1,5-diazabicyclo[2.1.0]penta-2,4-diene
SMILESCC(C)c1cc2nn1-2
InChIInChI=1S/C6H8N2/c1-4(2)5-3-6-7-8(5)6/h3-4H,1-2H3
InChIKeyOYTNTMHVAQJTSI-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.31
Rot. Bonds1

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

2-propan-2-yl-1,5-diazabicyclo[2.1.0]penta-2,4-diene (PubChem CID 155057395) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 2-propan-2-yl-1,5-diazabicyclo[2.1.0]penta-2,4-diene.

Molecular Properties

Compound Name2-propan-2-yl-1,5-diazabicyclo[2.1.0]penta-2,4-diene
PubChem CID155057395
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name2-propan-2-yl-1,5-diazabicyclo[2.1.0]penta-2,4-diene
SMILESCC(C)c1cc2nn1-2
InChIInChI=1S/C6H8N2/c1-4(2)5-3-6-7-8(5)6/h3-4H,1-2H3
InChIKeyOYTNTMHVAQJTSI-UHFFFAOYSA-N
XLogP1.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,5-diazabicyclo[2.1.0]penta-2,4-diene?
The IUPAC name of 2-propan-2-yl-1,5-diazabicyclo[2.1.0]penta-2,4-diene (CID 155057395) is 2-propan-2-yl-1,5-diazabicyclo[2.1.0]penta-2,4-diene.
What is the SMILES notation for 2-propan-2-yl-1,5-diazabicyclo[2.1.0]penta-2,4-diene?
The canonical SMILES for 2-propan-2-yl-1,5-diazabicyclo[2.1.0]penta-2,4-diene is CC(C)c1cc2nn1-2.
What is the InChIKey of 2-propan-2-yl-1,5-diazabicyclo[2.1.0]penta-2,4-diene?
The InChIKey is OYTNTMHVAQJTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-4(2)5-3-6-7-8(5)6/h3-4H,1-2H3.
What are the key properties of 2-propan-2-yl-1,5-diazabicyclo[2.1.0]penta-2,4-diene?
2-propan-2-yl-1,5-diazabicyclo[2.1.0]penta-2,4-diene has a molecular weight of 108.14 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,5-diazabicyclo[2.1.0]penta-2,4-diene is sourced from PubChem (CID 155057395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).