2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8-pentaene

C10H8N2 — CID 141055021

IUPAC2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8-pentaene
SMILESC1=Nc2nc3c(cc2=C1)CCC=3
InChIInChI=1S/C10H8N2/c1-2-7-6-8-4-5-11-10(8)12-9(7)3-1/h3-6H,1-2H2
InChIKeyUKHGYEXPIBTQBA-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.30
Rot. Bonds

About 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8-pentaene

2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8-pentaene (PubChem CID 141055021) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8-pentaene.

Molecular Properties

Compound Name2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8-pentaene
PubChem CID141055021
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8-pentaene
SMILESC1=Nc2nc3c(cc2=C1)CCC=3
InChIInChI=1S/C10H8N2/c1-2-7-6-8-4-5-11-10(8)12-9(7)3-1/h3-6H,1-2H2
InChIKeyUKHGYEXPIBTQBA-UHFFFAOYSA-N
XLogP0.30
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5,6-dihydro-4H-indole
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4,6,12-Triazatricyclo[7.6.0.03,7]pentadeca-1(9),2,4,6,10,12,14-heptaene
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Frequently Asked Questions

What is the IUPAC name of 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8-pentaene?
The IUPAC name of 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8-pentaene (CID 141055021) is 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8-pentaene.
What is the SMILES notation for 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8-pentaene?
The canonical SMILES for 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8-pentaene is C1=Nc2nc3c(cc2=C1)CCC=3.
What is the InChIKey of 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8-pentaene?
The InChIKey is UKHGYEXPIBTQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2/c1-2-7-6-8-4-5-11-10(8)12-9(7)3-1/h3-6H,1-2H2.
What are the key properties of 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8-pentaene?
2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8-pentaene has a molecular weight of 156.19 g/mol, XLogP of 0.30, 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(12),2,4,6,8-pentaene is sourced from PubChem (CID 141055021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).