3-methyl-1,9-diazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene

C10H10N2 — CID 130242135

IUPAC3-methyl-1,9-diazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene
SMILESCC1=CN2C=CN=CC2=C=CC1
InChIInChI=1S/C10H10N2/c1-9-3-2-4-10-7-11-5-6-12(10)8-9/h2,5-8H,3H2,1H3
InChIKeyDUBQAUXQZHFARY-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.19
Rot. Bonds

About 3-methyl-1,9-diazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene

3-methyl-1,9-diazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene (PubChem CID 130242135) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-methyl-1,9-diazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene.

Molecular Properties

Compound Name3-methyl-1,9-diazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene
PubChem CID130242135
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name3-methyl-1,9-diazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene
SMILESCC1=CN2C=CN=CC2=C=CC1
InChIInChI=1S/C10H10N2/c1-9-3-2-4-10-7-11-5-6-12(10)8-9/h2,5-8H,3H2,1H3
InChIKeyDUBQAUXQZHFARY-UHFFFAOYSA-N
XLogP2.19
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,9-diazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene?
The IUPAC name of 3-methyl-1,9-diazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene (CID 130242135) is 3-methyl-1,9-diazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene.
What is the SMILES notation for 3-methyl-1,9-diazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene?
The canonical SMILES for 3-methyl-1,9-diazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene is CC1=CN2C=CN=CC2=C=CC1.
What is the InChIKey of 3-methyl-1,9-diazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene?
The InChIKey is DUBQAUXQZHFARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-9-3-2-4-10-7-11-5-6-12(10)8-9/h2,5-8H,3H2,1H3.
What are the key properties of 3-methyl-1,9-diazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene?
3-methyl-1,9-diazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene has a molecular weight of 158.20 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,9-diazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene is sourced from PubChem (CID 130242135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).