2,9-diazatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene

C13H10N2 — CID 144989126

IUPAC2,9-diazatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene
SMILESC1=CC2CC23N=c2ccccc2=NC3=C1
InChIInChI=1S/C13H10N2/c1-2-6-11-10(5-1)14-12-7-3-4-9-8-13(9,12)15-11/h1-7,9H,8H2
InChIKeyIOZQYROLCWRGJR-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.15
Rot. Bonds

About 2,9-diazatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene

2,9-diazatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene (PubChem CID 144989126) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 2,9-diazatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene.

Molecular Properties

Compound Name2,9-diazatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene
PubChem CID144989126
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name2,9-diazatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene
SMILESC1=CC2CC23N=c2ccccc2=NC3=C1
InChIInChI=1S/C13H10N2/c1-2-6-11-10(5-1)14-12-7-3-4-9-8-13(9,12)15-11/h1-7,9H,8H2
InChIKeyIOZQYROLCWRGJR-UHFFFAOYSA-N
XLogP1.15
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethane;3-methyl-7a,8-dihydrocyclopropa[e]quinoxaline
CID 143408640
2-Azatetracyclo[8.5.0.03,8.012,14]pentadeca-1(15),2,4,6,8,10-hexaene
CID 143757983
2,6-Dimethyl-2,3-dihydrophenazine
CID 172568178
3-Methyl-7a,8-dihydrocyclopropa[e]quinoxaline
CID 143408641
6,12,15-Triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene
CID 145322439
2,3-bis(ethenyl)-4-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline
CID 155731591
2-propan-2-yl-6,6a-dihydro-5aH-cyclopropa[g]quinoline
CID 176972170

Frequently Asked Questions

What is the IUPAC name of 2,9-diazatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene?
The IUPAC name of 2,9-diazatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene (CID 144989126) is 2,9-diazatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene.
What is the SMILES notation for 2,9-diazatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene?
The canonical SMILES for 2,9-diazatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene is C1=CC2CC23N=c2ccccc2=NC3=C1.
What is the InChIKey of 2,9-diazatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene?
The InChIKey is IOZQYROLCWRGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-2-6-11-10(5-1)14-12-7-3-4-9-8-13(9,12)15-11/h1-7,9H,8H2.
What are the key properties of 2,9-diazatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene?
2,9-diazatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene has a molecular weight of 194.24 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diazatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene is sourced from PubChem (CID 144989126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).