2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,6-tetraene

C10H10N2 — CID 141055039

IUPAC2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,6-tetraene
SMILESC1=NC2=NC3=C(CCC3)CC2=C1
InChIInChI=1S/C10H10N2/c1-2-7-6-8-4-5-11-10(8)12-9(7)3-1/h4-5H,1-3,6H2
InChIKeyGJGCHRUVOFRERW-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.24
Rot. Bonds

About 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,6-tetraene

2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,6-tetraene (PubChem CID 141055039) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,6-tetraene.

Molecular Properties

Compound Name2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,6-tetraene
PubChem CID141055039
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,6-tetraene
SMILESC1=NC2=NC3=C(CCC3)CC2=C1
InChIInChI=1S/C10H10N2/c1-2-7-6-8-4-5-11-10(8)12-9(7)3-1/h4-5H,1-3,6H2
InChIKeyGJGCHRUVOFRERW-UHFFFAOYSA-N
XLogP2.24
TPSA24.72 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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Butyl-2-methylpyrrolo[2,3-d]pyrimidin-7-ium
CID 123919130
2,4-Diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8-pentaene
CID 141055021

Frequently Asked Questions

What is the IUPAC name of 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,6-tetraene?
The IUPAC name of 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,6-tetraene (CID 141055039) is 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,6-tetraene.
What is the SMILES notation for 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,6-tetraene?
The canonical SMILES for 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,6-tetraene is C1=NC2=NC3=C(CCC3)CC2=C1.
What is the InChIKey of 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,6-tetraene?
The InChIKey is GJGCHRUVOFRERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-7-6-8-4-5-11-10(8)12-9(7)3-1/h4-5H,1-3,6H2.
What are the key properties of 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,6-tetraene?
2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,6-tetraene has a molecular weight of 158.20 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,6-tetraene is sourced from PubChem (CID 141055039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).