6-methyl-2,11-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene

C10H12N2 — CID 123342946

IUPAC6-methyl-2,11-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene
SMILESCC1=C=CC=NC2=C1CCCN2
InChIInChI=1S/C10H12N2/c1-8-4-2-6-11-10-9(8)5-3-7-12-10/h2,6,12H,3,5,7H2,1H3
InChIKeyHPBUYYAGBAVDKA-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.77
Rot. Bonds

About 6-methyl-2,11-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene

6-methyl-2,11-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene (PubChem CID 123342946) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 6-methyl-2,11-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene.

Molecular Properties

Compound Name6-methyl-2,11-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene
PubChem CID123342946
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name6-methyl-2,11-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene
SMILESCC1=C=CC=NC2=C1CCCN2
InChIInChI=1S/C10H12N2/c1-8-4-2-6-11-10-9(8)5-3-7-12-10/h2,6,12H,3,5,7H2,1H3
InChIKeyHPBUYYAGBAVDKA-UHFFFAOYSA-N
XLogP1.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,11-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene?
The IUPAC name of 6-methyl-2,11-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene (CID 123342946) is 6-methyl-2,11-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene.
What is the SMILES notation for 6-methyl-2,11-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene?
The canonical SMILES for 6-methyl-2,11-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene is CC1=C=CC=NC2=C1CCCN2.
What is the InChIKey of 6-methyl-2,11-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene?
The InChIKey is HPBUYYAGBAVDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-8-4-2-6-11-10-9(8)5-3-7-12-10/h2,6,12H,3,5,7H2,1H3.
What are the key properties of 6-methyl-2,11-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene?
6-methyl-2,11-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene has a molecular weight of 160.22 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,11-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene is sourced from PubChem (CID 123342946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).