6,14-dimethyl-2-(2-methylphenyl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene

C22H23N3 — CID 59573666

IUPAC6,14-dimethyl-2-(2-methylphenyl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene
SMILESCc1cnc2c(c1)CCCc1cc(C)cnc1N2c1ccccc1C
InChIInChI=1S/C22H23N3/c1-15-11-18-8-6-9-19-12-16(2)14-24-22(19)25(21(18)23-13-15)20-10-5-4-7-17(20)3/h4-5,7,10-14H,6,8-9H2,1-3H3
InChIKeySUZXYMFSUGTTPO-UHFFFAOYSA-N
MW329.45 g/mol
LogP5.36
Rot. Bonds1

About 6,14-dimethyl-2-(2-methylphenyl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene

6,14-dimethyl-2-(2-methylphenyl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene (PubChem CID 59573666) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 6,14-dimethyl-2-(2-methylphenyl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene.

Molecular Properties

Compound Name6,14-dimethyl-2-(2-methylphenyl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene
PubChem CID59573666
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name6,14-dimethyl-2-(2-methylphenyl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene
SMILESCc1cnc2c(c1)CCCc1cc(C)cnc1N2c1ccccc1C
InChIInChI=1S/C22H23N3/c1-15-11-18-8-6-9-19-12-16(2)14-24-22(19)25(21(18)23-13-15)20-10-5-4-7-17(20)3/h4-5,7,10-14H,6,8-9H2,1-3H3
InChIKeySUZXYMFSUGTTPO-UHFFFAOYSA-N
XLogP5.36
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.45
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,14-dimethyl-2-(2-methylphenyl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene?
The IUPAC name of 6,14-dimethyl-2-(2-methylphenyl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene (CID 59573666) is 6,14-dimethyl-2-(2-methylphenyl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene.
What is the SMILES notation for 6,14-dimethyl-2-(2-methylphenyl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene?
The canonical SMILES for 6,14-dimethyl-2-(2-methylphenyl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene is Cc1cnc2c(c1)CCCc1cc(C)cnc1N2c1ccccc1C.
What is the InChIKey of 6,14-dimethyl-2-(2-methylphenyl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene?
The InChIKey is SUZXYMFSUGTTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3/c1-15-11-18-8-6-9-19-12-16(2)14-24-22(19)25(21(18)23-13-15)20-10-5-4-7-17(20)3/h4-5,7,10-14H,6,8-9H2,1-3H3.
What are the key properties of 6,14-dimethyl-2-(2-methylphenyl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene?
6,14-dimethyl-2-(2-methylphenyl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene has a molecular weight of 329.45 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,14-dimethyl-2-(2-methylphenyl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene is sourced from PubChem (CID 59573666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).