6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene

C12H9N3 — CID 145322439

IUPAC6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene
SMILESC1=NC2=c3cccnc3=CC3CC23N=C1
InChIInChI=1S/C12H9N3/c1-2-9-10(13-3-1)6-8-7-12(8)11(9)14-4-5-15-12/h1-6,8H,7H2
InChIKeyRFHGJEQLPRYNRB-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.10
Rot. Bonds

About 6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene

6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene (PubChem CID 145322439) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene.

Molecular Properties

Compound Name6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene
PubChem CID145322439
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene
SMILESC1=NC2=c3cccnc3=CC3CC23N=C1
InChIInChI=1S/C12H9N3/c1-2-9-10(13-3-1)6-8-7-12(8)11(9)14-4-5-15-12/h1-6,8H,7H2
InChIKeyRFHGJEQLPRYNRB-UHFFFAOYSA-N
XLogP-0.10
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene with MolForge

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Related Compounds

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CID 129792443
6-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline
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Ethane;3-methyl-7a,8-dihydrocyclopropa[e]quinoxaline
CID 143408640
6,6a-dihydro-5aH-cyclopropa[g]quinoline;ethane
CID 144216551
6,6a-dihydro-5aH-cyclopropa[g]quinoline;ethane
CID 144851891
2,9-Diazatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene
CID 144989126
Ethane;6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene
CID 145322438
4a,5-Dihydro-1,10-phenanthroline
CID 148437459
ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline
CID 155731561
(6aR)-3,4,6,6a-tetrahydro-1,10-phenanthroline
CID 164124667
6,6a-dihydro-5aH-cyclopropa[g]quinoxaline
CID 143157893
3-Methyl-7a,8-dihydrocyclopropa[e]quinoxaline
CID 143408641

Frequently Asked Questions

What is the IUPAC name of 6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene?
The IUPAC name of 6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene (CID 145322439) is 6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene.
What is the SMILES notation for 6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene?
The canonical SMILES for 6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene is C1=NC2=c3cccnc3=CC3CC23N=C1.
What is the InChIKey of 6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene?
The InChIKey is RFHGJEQLPRYNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c1-2-9-10(13-3-1)6-8-7-12(8)11(9)14-4-5-15-12/h1-6,8H,7H2.
What are the key properties of 6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene?
6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene has a molecular weight of 195.22 g/mol, XLogP of -0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene is sourced from PubChem (CID 145322439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).