13-methyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10,13-hexaene

C13H11N3 — CID 135929098

IUPAC13-methyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10,13-hexaene
SMILESCc1[nH]nc2c1Cc1c-2[nH]c2ccccc12
InChIInChI=1S/C13H11N3/c1-7-9-6-10-8-4-2-3-5-11(8)14-12(10)13(9)16-15-7/h2-5,14H,6H2,1H3,(H,15,16)
InChIKeyJHGGFQICWDUZTH-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.77
Rot. Bonds

About 13-methyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10,13-hexaene

13-methyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10,13-hexaene (PubChem CID 135929098) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 13-methyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10,13-hexaene.

Molecular Properties

Compound Name13-methyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10,13-hexaene
PubChem CID135929098
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name13-methyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10,13-hexaene
SMILESCc1[nH]nc2c1Cc1c-2[nH]c2ccccc12
InChIInChI=1S/C13H11N3/c1-7-9-6-10-8-4-2-3-5-11(8)14-12(10)13(9)16-15-7/h2-5,14H,6H2,1H3,(H,15,16)
InChIKeyJHGGFQICWDUZTH-UHFFFAOYSA-N
XLogP2.77
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(5-Methyl-1H-pyrazol-3-yl)-1H-indole
CID 135929097
5-Methyl-3,4,16-triazatetracyclo[7.7.0.0^{2,6}.0^{10,15}]hexadeca-1(9),2,5,10,12,14-hexaene
CID 135929094
5-Cyclopropyl-3,4,16-triazatetracyclo[7.7.0.0^{2,6}.0^{10,15}]hexadeca-1(9),2,5,10,12,14-hexaene
CID 135929095
3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-1H-indole
CID 4266993
3-(1h-Indol-2-yl)-6-methyl-1h-indazole
CID 135406885
3-(1h-Indol-2-yl)-1h-indazole
CID 135409238
5-fluoro-3-(1H-indol-2-yl)-1H-indazole
CID 135409247
3-(5-methyl-1H-indol-2-yl)-1H-indazole
CID 135494486
3-(6-methyl-1H-indol-2-yl)-1H-indazole
CID 135514562
3-(1h-Indol-2-yl)-5-methyl-1h-indazole
CID 135537103
6-fluoro-3-(1H-indol-2-yl)-1H-indazole
CID 136199383
1,4-Dihydropyrazolo[4,5-b]indole
CID 136442281

Frequently Asked Questions

What is the IUPAC name of 13-methyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10,13-hexaene?
The IUPAC name of 13-methyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10,13-hexaene (CID 135929098) is 13-methyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10,13-hexaene.
What is the SMILES notation for 13-methyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10,13-hexaene?
The canonical SMILES for 13-methyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10,13-hexaene is Cc1[nH]nc2c1Cc1c-2[nH]c2ccccc12.
What is the InChIKey of 13-methyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10,13-hexaene?
The InChIKey is JHGGFQICWDUZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-7-9-6-10-8-4-2-3-5-11(8)14-12(10)13(9)16-15-7/h2-5,14H,6H2,1H3,(H,15,16).
What are the key properties of 13-methyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10,13-hexaene?
13-methyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10,13-hexaene has a molecular weight of 209.25 g/mol, XLogP of 2.77, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10,13-hexaene is sourced from PubChem (CID 135929098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).