8-methyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11-hexaen-14-one

C11H8N6O — CID 10823939

IUPAC8-methyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11-hexaen-14-one
SMILESCn1c2ccccc2c2nn3c(=O)[nH]nc3nc21
InChIInChI=1S/C11H8N6O/c1-16-7-5-3-2-4-6(7)8-9(16)12-10-13-14-11(18)17(10)15-8/h2-5H,1H3,(H,14,18)
InChIKeyMZGYRKLXOPUTFX-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.46
Rot. Bonds

About 8-methyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11-hexaen-14-one

8-methyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11-hexaen-14-one (PubChem CID 10823939) has the molecular formula C11H8N6O and a molecular weight of 240.23 g/mol. Its IUPAC name is 8-methyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11-hexaen-14-one.

Molecular Properties

Compound Name8-methyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11-hexaen-14-one
PubChem CID10823939
Molecular FormulaC11H8N6O
Molecular Weight240.23 g/mol
Exact Mass240.08
IUPAC Name8-methyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11-hexaen-14-one
SMILESCn1c2ccccc2c2nn3c(=O)[nH]nc3nc21
InChIInChI=1S/C11H8N6O/c1-16-7-5-3-2-4-6(7)8-9(16)12-10-13-14-11(18)17(10)15-8/h2-5H,1H3,(H,14,18)
InChIKeyMZGYRKLXOPUTFX-UHFFFAOYSA-N
XLogP0.46
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-methyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11-hexaen-14-one with MolForge

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Related Compounds

8-methyl-14-(4-methylphenyl)-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene
CID 117058463
2-[(8-methyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-yl)sulfanyl]acetate
CID 6974892
6-methyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one
CID 13185782
2-chloro-N-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)acetamide
CID 66489936
1,4-dimethyl-2H-pyrazolo[3,4-b]indole
CID 134515346
2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid
CID 3129853
ethane;5-methyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole
CID 91465577
4-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)morpholine
CID 6414498
(2S)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate
CID 8554903
(2S)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]cyclohexan-1-one
CID 6401005
6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one
CID 23875751
10-methylindolo[3,2-b]quinoline
CID 10681089

Frequently Asked Questions

What is the IUPAC name of 8-methyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11-hexaen-14-one?
The IUPAC name of 8-methyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11-hexaen-14-one (CID 10823939) is 8-methyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11-hexaen-14-one.
What is the SMILES notation for 8-methyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11-hexaen-14-one?
The canonical SMILES for 8-methyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11-hexaen-14-one is Cn1c2ccccc2c2nn3c(=O)[nH]nc3nc21.
What is the InChIKey of 8-methyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11-hexaen-14-one?
The InChIKey is MZGYRKLXOPUTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6O/c1-16-7-5-3-2-4-6(7)8-9(16)12-10-13-14-11(18)17(10)15-8/h2-5H,1H3,(H,14,18).
What are the key properties of 8-methyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11-hexaen-14-one?
8-methyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11-hexaen-14-one has a molecular weight of 240.23 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11-hexaen-14-one is sourced from PubChem (CID 10823939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).