2-methyl-8-phenyl-9-oxa-2,3,12-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene

C17H15N3O — CID 19833876

IUPAC2-methyl-8-phenyl-9-oxa-2,3,12-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene
SMILESCN1c2ccncc2OC(c2ccccc2)c2cccn21
InChIInChI=1S/C17H15N3O/c1-19-14-9-10-18-12-16(14)21-17(13-6-3-2-4-7-13)15-8-5-11-20(15)19/h2-12,17H,1H3
InChIKeyKVEUHHKDOHOZOB-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.26
Rot. Bonds1

About 2-methyl-8-phenyl-9-oxa-2,3,12-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene

2-methyl-8-phenyl-9-oxa-2,3,12-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene (PubChem CID 19833876) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-methyl-8-phenyl-9-oxa-2,3,12-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene.

Molecular Properties

Compound Name2-methyl-8-phenyl-9-oxa-2,3,12-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene
PubChem CID19833876
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-methyl-8-phenyl-9-oxa-2,3,12-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene
SMILESCN1c2ccncc2OC(c2ccccc2)c2cccn21
InChIInChI=1S/C17H15N3O/c1-19-14-9-10-18-12-16(14)21-17(13-6-3-2-4-7-13)15-8-5-11-20(15)19/h2-12,17H,1H3
InChIKeyKVEUHHKDOHOZOB-UHFFFAOYSA-N
XLogP3.26
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-phenyl-9-oxa-2,3,12-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene?
The IUPAC name of 2-methyl-8-phenyl-9-oxa-2,3,12-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene (CID 19833876) is 2-methyl-8-phenyl-9-oxa-2,3,12-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene.
What is the SMILES notation for 2-methyl-8-phenyl-9-oxa-2,3,12-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene?
The canonical SMILES for 2-methyl-8-phenyl-9-oxa-2,3,12-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene is CN1c2ccncc2OC(c2ccccc2)c2cccn21.
What is the InChIKey of 2-methyl-8-phenyl-9-oxa-2,3,12-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene?
The InChIKey is KVEUHHKDOHOZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-19-14-9-10-18-12-16(14)21-17(13-6-3-2-4-7-13)15-8-5-11-20(15)19/h2-12,17H,1H3.
What are the key properties of 2-methyl-8-phenyl-9-oxa-2,3,12-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene?
2-methyl-8-phenyl-9-oxa-2,3,12-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene has a molecular weight of 277.33 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-phenyl-9-oxa-2,3,12-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene is sourced from PubChem (CID 19833876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).