6-methyl-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C17H13N3O — CID 91159270

IUPAC6-methyl-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESCc1cccc(-c2nc(C)c3oc4ncccc4c3n2)c1
InChIInChI=1S/C17H13N3O/c1-10-5-3-6-12(9-10)16-19-11(2)15-14(20-16)13-7-4-8-18-17(13)21-15/h3-9H,1-2H3
InChIKeyCBDOSQSKROEMMX-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.05
Rot. Bonds1

About 6-methyl-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

6-methyl-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 91159270) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-methyl-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name6-methyl-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID91159270
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name6-methyl-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESCc1cccc(-c2nc(C)c3oc4ncccc4c3n2)c1
InChIInChI=1S/C17H13N3O/c1-10-5-3-6-12(9-10)16-19-11(2)15-14(20-16)13-7-4-8-18-17(13)21-15/h3-9H,1-2H3
InChIKeyCBDOSQSKROEMMX-UHFFFAOYSA-N
XLogP4.05
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 159917708
6-(4-phenylphenyl)-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 162775027
4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155461854
4-(3-methoxyphenyl)-6-piperidin-1-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-phenyl-6-piperidin-1-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158090558
1-[4-(3-hydroxyphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]piperidin-4-one
CID 56645381
4-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 162775055
4-naphthalen-2-yl-6-[3-(1,10-phenanthrolin-2-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 146850618
6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 162774916
4,6-dimethyl-2-(3-methylphenyl)pyrimidine
CID 55264289
2-(3-methylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 171058363
3,4,5-trimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158374542
7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 166802118

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 6-methyl-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 91159270) is 6-methyl-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 6-methyl-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 6-methyl-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is Cc1cccc(-c2nc(C)c3oc4ncccc4c3n2)c1.
What is the InChIKey of 6-methyl-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is CBDOSQSKROEMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-10-5-3-6-12(9-10)16-19-11(2)15-14(20-16)13-7-4-8-18-17(13)21-15/h3-9H,1-2H3.
What are the key properties of 6-methyl-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
6-methyl-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 275.31 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 91159270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).