8-methyl-4,12-di(propan-2-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C17H21N3 — CID 67988424

IUPAC8-methyl-4,12-di(propan-2-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC(C)c1ccc2c(n1)c1nc(C(C)C)ccc1n2C
InChIInChI=1S/C17H21N3/c1-10(2)12-6-8-14-16(18-12)17-15(20(14)5)9-7-13(19-17)11(3)4/h6-11H,1-5H3
InChIKeyVPOTXMTVZWLCID-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.37
Rot. Bonds2

About 8-methyl-4,12-di(propan-2-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-methyl-4,12-di(propan-2-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 67988424) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 8-methyl-4,12-di(propan-2-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-methyl-4,12-di(propan-2-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID67988424
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name8-methyl-4,12-di(propan-2-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC(C)c1ccc2c(n1)c1nc(C(C)C)ccc1n2C
InChIInChI=1S/C17H21N3/c1-10(2)12-6-8-14-16(18-12)17-15(20(14)5)9-7-13(19-17)11(3)4/h6-11H,1-5H3
InChIKeyVPOTXMTVZWLCID-UHFFFAOYSA-N
XLogP4.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-methyl-4,12-di(propan-2-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cryptolepine
CID 82143
Cryptolepine hydrochloride
CID 156093
4-[1-ethyl-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridine
CID 11012564
3-(4-Fluorophenyl)-1-methyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine
CID 11822822
4-[3-(4-fluorophenyl)-1-(1-methoxyethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridine
CID 23647183
11-Ethyl-5-methylindolo[3,2-b]quinoline
CID 10682784
5-Methyl-2-phenyl-7-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridine
CID 10565529
5,11-Dimethylindolo[3,2-b]quinoline
CID 10705591
US10377753, Example 173
CID 124176024
US10377753, Example 177
CID 124176026
1-Propan-2-yl-3-pyridin-4-ylpyrrolo[2,3-c]pyridine
CID 137636941
5-Methyl-11-propan-2-ylindolo[3,2-b]quinoline
CID 10731055

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4,12-di(propan-2-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-methyl-4,12-di(propan-2-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 67988424) is 8-methyl-4,12-di(propan-2-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-methyl-4,12-di(propan-2-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-methyl-4,12-di(propan-2-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is CC(C)c1ccc2c(n1)c1nc(C(C)C)ccc1n2C.
What is the InChIKey of 8-methyl-4,12-di(propan-2-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is VPOTXMTVZWLCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-10(2)12-6-8-14-16(18-12)17-15(20(14)5)9-7-13(19-17)11(3)4/h6-11H,1-5H3.
What are the key properties of 8-methyl-4,12-di(propan-2-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-methyl-4,12-di(propan-2-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 267.38 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4,12-di(propan-2-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 67988424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).