8-methyl-4-phenyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene

C20H17N3 — CID 134501809

IUPAC8-methyl-4-phenyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene
SMILESCN1c2ccc(-c3ccccc3)nc2N2c3ccccc3CC12
InChIInChI=1S/C20H17N3/c1-22-18-12-11-16(14-7-3-2-4-8-14)21-20(18)23-17-10-6-5-9-15(17)13-19(22)23/h2-12,19H,13H2,1H3
InChIKeyMLQJMSIDJQSQJF-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.22
Rot. Bonds1

About 8-methyl-4-phenyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene

8-methyl-4-phenyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene (PubChem CID 134501809) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 8-methyl-4-phenyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene.

Molecular Properties

Compound Name8-methyl-4-phenyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene
PubChem CID134501809
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name8-methyl-4-phenyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene
SMILESCN1c2ccc(-c3ccccc3)nc2N2c3ccccc3CC12
InChIInChI=1S/C20H17N3/c1-22-18-12-11-16(14-7-3-2-4-8-14)21-20(18)23-17-10-6-5-9-15(17)13-19(22)23/h2-12,19H,13H2,1H3
InChIKeyMLQJMSIDJQSQJF-UHFFFAOYSA-N
XLogP4.22
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-phenyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene?
The IUPAC name of 8-methyl-4-phenyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene (CID 134501809) is 8-methyl-4-phenyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene.
What is the SMILES notation for 8-methyl-4-phenyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene?
The canonical SMILES for 8-methyl-4-phenyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene is CN1c2ccc(-c3ccccc3)nc2N2c3ccccc3CC12.
What is the InChIKey of 8-methyl-4-phenyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene?
The InChIKey is MLQJMSIDJQSQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-22-18-12-11-16(14-7-3-2-4-8-14)21-20(18)23-17-10-6-5-9-15(17)13-19(22)23/h2-12,19H,13H2,1H3.
What are the key properties of 8-methyl-4-phenyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene?
8-methyl-4-phenyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene has a molecular weight of 299.38 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-phenyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene is sourced from PubChem (CID 134501809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).