5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-ol

C17H19N3O — CID 11500131

IUPAC5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-ol
SMILESCN1CCN2c3ncc(O)cc3Cc3ccccc3C2C1
InChIInChI=1S/C17H19N3O/c1-19-6-7-20-16(11-19)15-5-3-2-4-12(15)8-13-9-14(21)10-18-17(13)20/h2-5,9-10,16,21H,6-8,11H2,1H3
InChIKeyDAWYIZBOUQIVNX-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.18
Rot. Bonds

About 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-ol

5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-ol (PubChem CID 11500131) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-ol.

Molecular Properties

Compound Name5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-ol
PubChem CID11500131
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-ol
SMILESCN1CCN2c3ncc(O)cc3Cc3ccccc3C2C1
InChIInChI=1S/C17H19N3O/c1-19-6-7-20-16(11-19)15-5-3-2-4-12(15)8-13-9-14(21)10-18-17(13)20/h2-5,9-10,16,21H,6-8,11H2,1H3
InChIKeyDAWYIZBOUQIVNX-UHFFFAOYSA-N
XLogP2.18
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-ol with MolForge

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Related Compounds

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1-[4-(5-Hydroxy-2-pyridinyl)piperazin-1-yl]-3-methyl-3-phenylbutan-1-one
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6-[Benzyl(ethyl)amino]pyridin-3-ol
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6-[Ethyl(1-phenylpropyl)amino]pyridin-3-ol
CID 44395802
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CID 172434422
4-[1-Hydroxy-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutyl]phenol
CID 3040922
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CID 10342243
6-[4-[(2E)-2-(4-fluorophenyl)-2-methoxyiminoethyl]piperazin-1-yl]pyridin-3-ol
CID 11279378
2-Fluoro-4-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phenol
CID 18403792
4-Fluoro-2-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phenol
CID 58180826
2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N-dimethylpropanamide
CID 68660789

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-ol?
The IUPAC name of 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-ol (CID 11500131) is 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-ol.
What is the SMILES notation for 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-ol?
The canonical SMILES for 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-ol is CN1CCN2c3ncc(O)cc3Cc3ccccc3C2C1.
What is the InChIKey of 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-ol?
The InChIKey is DAWYIZBOUQIVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-19-6-7-20-16(11-19)15-5-3-2-4-12(15)8-13-9-14(21)10-18-17(13)20/h2-5,9-10,16,21H,6-8,11H2,1H3.
What are the key properties of 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-ol?
5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-ol has a molecular weight of 281.36 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-ol is sourced from PubChem (CID 11500131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).