5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene

C15H12N4 — CID 23257799

IUPAC5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene
SMILESCc1cc2nc3nc4ccccn4c3nc2cc1C
InChIInChI=1S/C15H12N4/c1-9-7-11-12(8-10(9)2)17-15-14(16-11)18-13-5-3-4-6-19(13)15/h3-8H,1-2H3
InChIKeyJBMIEHZRCWUUKY-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.05
Rot. Bonds

About 5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene

5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene (PubChem CID 23257799) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene.

Molecular Properties

Compound Name5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene
PubChem CID23257799
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene
SMILESCc1cc2nc3nc4ccccn4c3nc2cc1C
InChIInChI=1S/C15H12N4/c1-9-7-11-12(8-10(9)2)17-15-14(16-11)18-13-5-3-4-6-19(13)15/h3-8H,1-2H3
InChIKeyJBMIEHZRCWUUKY-UHFFFAOYSA-N
XLogP3.05
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene with MolForge

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Launch Full Analysis

Related Compounds

14-tert-butyl-5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene
CID 23257800
6-nitro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene
CID 10967410
13-fluoro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
CID 59113303
phenyl(2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-14-yl)methanone
CID 14572739
ethyl 4-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene-5-carboxylate
CID 86059330
2-methylpurino[9,8-a]pyridin-4-amine
CID 10420296
2-iodo-3-methylimidazo[1,2-a]pyridine
CID 126539861
2,4,10-triazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),5,7,9,12,16,18,20-nonaene
CID 86059353
3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 39132917
7-methyl-8-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole
CID 140889717
2-(2,4,6-trimethylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617577
3-isocyano-2-methylimidazo[1,2-a]pyridine
CID 167583216

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene?
The IUPAC name of 5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene (CID 23257799) is 5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene.
What is the SMILES notation for 5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene?
The canonical SMILES for 5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene is Cc1cc2nc3nc4ccccn4c3nc2cc1C.
What is the InChIKey of 5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene?
The InChIKey is JBMIEHZRCWUUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c1-9-7-11-12(8-10(9)2)17-15-14(16-11)18-13-5-3-4-6-19(13)15/h3-8H,1-2H3.
What are the key properties of 5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene?
5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene has a molecular weight of 248.29 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene is sourced from PubChem (CID 23257799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).