6-methyl-2,3-diazabicyclo[5.5.0]dodeca-1(7),2,4,9,11-pentaene

C11H12N2 — CID 146407585

IUPAC6-methyl-2,3-diazabicyclo[5.5.0]dodeca-1(7),2,4,9,11-pentaene
SMILESCC1C=CN=NC2=C1CC=CC=C2
InChIInChI=1S/C11H12N2/c1-9-7-8-12-13-11-6-4-2-3-5-10(9)11/h2-4,6-9H,5H2,1H3
InChIKeyHKSGMWSFVNMXDB-UHFFFAOYSA-N
MW172.23 g/mol
LogP3.37
Rot. Bonds

About 6-methyl-2,3-diazabicyclo[5.5.0]dodeca-1(7),2,4,9,11-pentaene

6-methyl-2,3-diazabicyclo[5.5.0]dodeca-1(7),2,4,9,11-pentaene (PubChem CID 146407585) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 6-methyl-2,3-diazabicyclo[5.5.0]dodeca-1(7),2,4,9,11-pentaene.

Molecular Properties

Compound Name6-methyl-2,3-diazabicyclo[5.5.0]dodeca-1(7),2,4,9,11-pentaene
PubChem CID146407585
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name6-methyl-2,3-diazabicyclo[5.5.0]dodeca-1(7),2,4,9,11-pentaene
SMILESCC1C=CN=NC2=C1CC=CC=C2
InChIInChI=1S/C11H12N2/c1-9-7-8-12-13-11-6-4-2-3-5-10(9)11/h2-4,6-9H,5H2,1H3
InChIKeyHKSGMWSFVNMXDB-UHFFFAOYSA-N
XLogP3.37
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-diazabicyclo[5.5.0]dodeca-1(7),2,4,9,11-pentaene?
The IUPAC name of 6-methyl-2,3-diazabicyclo[5.5.0]dodeca-1(7),2,4,9,11-pentaene (CID 146407585) is 6-methyl-2,3-diazabicyclo[5.5.0]dodeca-1(7),2,4,9,11-pentaene.
What is the SMILES notation for 6-methyl-2,3-diazabicyclo[5.5.0]dodeca-1(7),2,4,9,11-pentaene?
The canonical SMILES for 6-methyl-2,3-diazabicyclo[5.5.0]dodeca-1(7),2,4,9,11-pentaene is CC1C=CN=NC2=C1CC=CC=C2.
What is the InChIKey of 6-methyl-2,3-diazabicyclo[5.5.0]dodeca-1(7),2,4,9,11-pentaene?
The InChIKey is HKSGMWSFVNMXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-9-7-8-12-13-11-6-4-2-3-5-10(9)11/h2-4,6-9H,5H2,1H3.
What are the key properties of 6-methyl-2,3-diazabicyclo[5.5.0]dodeca-1(7),2,4,9,11-pentaene?
6-methyl-2,3-diazabicyclo[5.5.0]dodeca-1(7),2,4,9,11-pentaene has a molecular weight of 172.23 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-diazabicyclo[5.5.0]dodeca-1(7),2,4,9,11-pentaene is sourced from PubChem (CID 146407585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).