5-propyl-2,5-diazabicyclo[4.1.0]hepta-1,3-diene

C8H12N2 — CID 163664552

IUPAC5-propyl-2,5-diazabicyclo[4.1.0]hepta-1,3-diene
SMILESCCCN1C=CN=C2CC21
InChIInChI=1S/C8H12N2/c1-2-4-10-5-3-9-7-6-8(7)10/h3,5,8H,2,4,6H2,1H3
InChIKeyIXGUUBDEXXCZMR-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.40
Rot. Bonds2

About 5-propyl-2,5-diazabicyclo[4.1.0]hepta-1,3-diene

5-propyl-2,5-diazabicyclo[4.1.0]hepta-1,3-diene (PubChem CID 163664552) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 5-propyl-2,5-diazabicyclo[4.1.0]hepta-1,3-diene.

Molecular Properties

Compound Name5-propyl-2,5-diazabicyclo[4.1.0]hepta-1,3-diene
PubChem CID163664552
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name5-propyl-2,5-diazabicyclo[4.1.0]hepta-1,3-diene
SMILESCCCN1C=CN=C2CC21
InChIInChI=1S/C8H12N2/c1-2-4-10-5-3-9-7-6-8(7)10/h3,5,8H,2,4,6H2,1H3
InChIKeyIXGUUBDEXXCZMR-UHFFFAOYSA-N
XLogP1.40
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-2,5-diazabicyclo[4.1.0]hepta-1,3-diene?
The IUPAC name of 5-propyl-2,5-diazabicyclo[4.1.0]hepta-1,3-diene (CID 163664552) is 5-propyl-2,5-diazabicyclo[4.1.0]hepta-1,3-diene.
What is the SMILES notation for 5-propyl-2,5-diazabicyclo[4.1.0]hepta-1,3-diene?
The canonical SMILES for 5-propyl-2,5-diazabicyclo[4.1.0]hepta-1,3-diene is CCCN1C=CN=C2CC21.
What is the InChIKey of 5-propyl-2,5-diazabicyclo[4.1.0]hepta-1,3-diene?
The InChIKey is IXGUUBDEXXCZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-4-10-5-3-9-7-6-8(7)10/h3,5,8H,2,4,6H2,1H3.
What are the key properties of 5-propyl-2,5-diazabicyclo[4.1.0]hepta-1,3-diene?
5-propyl-2,5-diazabicyclo[4.1.0]hepta-1,3-diene has a molecular weight of 136.20 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2,5-diazabicyclo[4.1.0]hepta-1,3-diene is sourced from PubChem (CID 163664552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).