5-methyl-14-oxa-2,9,11,13,15,17-hexazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),4,6,9,12,15-heptaene

C11H8N6O — CID 135495923

IUPAC5-methyl-14-oxa-2,9,11,13,15,17-hexazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),4,6,9,12,15-heptaene
SMILESCc1ccc2nc3c(nc2c1)Nc1nonc1N3
InChIInChI=1S/C11H8N6O/c1-5-2-3-6-7(4-5)13-9-8(12-6)14-10-11(15-9)17-18-16-10/h2-4H,1H3,(H,12,14,16)(H,13,15,17)
InChIKeyOCCMHQGQMJOFCS-UHFFFAOYSA-N
MW240.23 g/mol
LogP2.12
Rot. Bonds

About 5-methyl-14-oxa-2,9,11,13,15,17-hexazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),4,6,9,12,15-heptaene

5-methyl-14-oxa-2,9,11,13,15,17-hexazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),4,6,9,12,15-heptaene (PubChem CID 135495923) has the molecular formula C11H8N6O and a molecular weight of 240.23 g/mol. Its IUPAC name is 5-methyl-14-oxa-2,9,11,13,15,17-hexazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),4,6,9,12,15-heptaene.

Molecular Properties

Compound Name5-methyl-14-oxa-2,9,11,13,15,17-hexazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),4,6,9,12,15-heptaene
PubChem CID135495923
Molecular FormulaC11H8N6O
Molecular Weight240.23 g/mol
Exact Mass240.08
IUPAC Name5-methyl-14-oxa-2,9,11,13,15,17-hexazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),4,6,9,12,15-heptaene
SMILESCc1ccc2nc3c(nc2c1)Nc1nonc1N3
InChIInChI=1S/C11H8N6O/c1-5-2-3-6-7(4-5)13-9-8(12-6)14-10-11(15-9)17-18-16-10/h2-4H,1H3,(H,12,14,16)(H,13,15,17)
InChIKeyOCCMHQGQMJOFCS-UHFFFAOYSA-N
XLogP2.12
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methyl-14-oxa-2,9,11,13,15,17-hexazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),4,6,9,12,15-heptaene with MolForge

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Related Compounds

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3-chloro-N,7-dimethylquinoxalin-2-amine
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4,7-dimethyl-1,5-benzodiazepin-2-one
CID 121218111
7-methyl-3-(4-methylphenyl)-1,2,4-benzotriazine
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1,3,8-trimethylphenazine
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(3-chloro-7-methylquinoxalin-2-yl)hydrazine
CID 59320608

Frequently Asked Questions

What is the IUPAC name of 5-methyl-14-oxa-2,9,11,13,15,17-hexazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),4,6,9,12,15-heptaene?
The IUPAC name of 5-methyl-14-oxa-2,9,11,13,15,17-hexazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),4,6,9,12,15-heptaene (CID 135495923) is 5-methyl-14-oxa-2,9,11,13,15,17-hexazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),4,6,9,12,15-heptaene.
What is the SMILES notation for 5-methyl-14-oxa-2,9,11,13,15,17-hexazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),4,6,9,12,15-heptaene?
The canonical SMILES for 5-methyl-14-oxa-2,9,11,13,15,17-hexazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),4,6,9,12,15-heptaene is Cc1ccc2nc3c(nc2c1)Nc1nonc1N3.
What is the InChIKey of 5-methyl-14-oxa-2,9,11,13,15,17-hexazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),4,6,9,12,15-heptaene?
The InChIKey is OCCMHQGQMJOFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6O/c1-5-2-3-6-7(4-5)13-9-8(12-6)14-10-11(15-9)17-18-16-10/h2-4H,1H3,(H,12,14,16)(H,13,15,17).
What are the key properties of 5-methyl-14-oxa-2,9,11,13,15,17-hexazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),4,6,9,12,15-heptaene?
5-methyl-14-oxa-2,9,11,13,15,17-hexazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),4,6,9,12,15-heptaene has a molecular weight of 240.23 g/mol, XLogP of 2.12, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-14-oxa-2,9,11,13,15,17-hexazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),4,6,9,12,15-heptaene is sourced from PubChem (CID 135495923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).