11-methyl-2,4,11-triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),2,4,6,8,10(17),12,14-octaen-12-ol

C15H11N3O — CID 159546729

IUPAC11-methyl-2,4,11-triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),2,4,6,8,10(17),12,14-octaen-12-ol
SMILESCn1c(O)c2cccc3c2c1C=c1cccnc1=N3
InChIInChI=1S/C15H11N3O/c1-18-12-8-9-4-3-7-16-14(9)17-11-6-2-5-10(13(11)12)15(18)19/h2-8,19H,1H3
InChIKeyRJPJOXHBTIDDHZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.37
Rot. Bonds

About 11-methyl-2,4,11-triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),2,4,6,8,10(17),12,14-octaen-12-ol

11-methyl-2,4,11-triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),2,4,6,8,10(17),12,14-octaen-12-ol (PubChem CID 159546729) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 11-methyl-2,4,11-triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),2,4,6,8,10(17),12,14-octaen-12-ol.

Molecular Properties

Compound Name11-methyl-2,4,11-triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),2,4,6,8,10(17),12,14-octaen-12-ol
PubChem CID159546729
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name11-methyl-2,4,11-triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),2,4,6,8,10(17),12,14-octaen-12-ol
SMILESCn1c(O)c2cccc3c2c1C=c1cccnc1=N3
InChIInChI=1S/C15H11N3O/c1-18-12-8-9-4-3-7-16-14(9)17-11-6-2-5-10(13(11)12)15(18)19/h2-8,19H,1H3
InChIKeyRJPJOXHBTIDDHZ-UHFFFAOYSA-N
XLogP1.37
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11-methyl-2,4,11-triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),2,4,6,8,10(17),12,14-octaen-12-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-2,4,11-triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),2,4,6,8,10(17),12,14-octaen-12-ol?
The IUPAC name of 11-methyl-2,4,11-triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),2,4,6,8,10(17),12,14-octaen-12-ol (CID 159546729) is 11-methyl-2,4,11-triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),2,4,6,8,10(17),12,14-octaen-12-ol.
What is the SMILES notation for 11-methyl-2,4,11-triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),2,4,6,8,10(17),12,14-octaen-12-ol?
The canonical SMILES for 11-methyl-2,4,11-triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),2,4,6,8,10(17),12,14-octaen-12-ol is Cn1c(O)c2cccc3c2c1C=c1cccnc1=N3.
What is the InChIKey of 11-methyl-2,4,11-triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),2,4,6,8,10(17),12,14-octaen-12-ol?
The InChIKey is RJPJOXHBTIDDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c1-18-12-8-9-4-3-7-16-14(9)17-11-6-2-5-10(13(11)12)15(18)19/h2-8,19H,1H3.
What are the key properties of 11-methyl-2,4,11-triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),2,4,6,8,10(17),12,14-octaen-12-ol?
11-methyl-2,4,11-triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),2,4,6,8,10(17),12,14-octaen-12-ol has a molecular weight of 249.27 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-2,4,11-triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),2,4,6,8,10(17),12,14-octaen-12-ol is sourced from PubChem (CID 159546729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).