2,2,4,10-tetramethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one

C17H23N3O — CID 169080037

IUPAC2,2,4,10-tetramethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one
SMILESCN1C(=O)C(C)(C)N2c3c1cccc3C1(C)CNCCC21
InChIInChI=1S/C17H23N3O/c1-16(2)15(21)19(4)12-7-5-6-11-14(12)20(16)13-8-9-18-10-17(11,13)3/h5-7,13,18H,8-10H2,1-4H3
InChIKeyWVYHQOARZQHKHO-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.88
Rot. Bonds

About 2,2,4,10-tetramethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one

2,2,4,10-tetramethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one (PubChem CID 169080037) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2,2,4,10-tetramethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one.

Molecular Properties

Compound Name2,2,4,10-tetramethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one
PubChem CID169080037
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2,2,4,10-tetramethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one
SMILESCN1C(=O)C(C)(C)N2c3c1cccc3C1(C)CNCCC21
InChIInChI=1S/C17H23N3O/c1-16(2)15(21)19(4)12-7-5-6-11-14(12)20(16)13-8-9-18-10-17(11,13)3/h5-7,13,18H,8-10H2,1-4H3
InChIKeyWVYHQOARZQHKHO-UHFFFAOYSA-N
XLogP1.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,4,10-tetramethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one with MolForge

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Related Compounds

(10R)-10-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one
CID 169190051
10-methyl-4-pentyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one
CID 170086655
12-[4-(4-fluorophenyl)-4-oxobutyl]-2,2,4,10-tetramethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one
CID 169080029
(10R,15S)-10-methyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
CID 178095459
6,9b-dimethyl-5-propyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole
CID 170086750
2-[(9bR)-6-bromo-9b-methyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]acetamide
CID 169190055
(3S)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 95187712
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1,3,3,4-tetramethylquinoxalin-2-one
CID 121015533
9b-methyl-1,2,3,4,4a,5-hexahydropyrido[4,3-b]indole
CID 146498779
1,3,3,4,4-pentamethylquinolin-2-one
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CID 59909654
CID 59909654

Frequently Asked Questions

What is the IUPAC name of 2,2,4,10-tetramethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one?
The IUPAC name of 2,2,4,10-tetramethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one (CID 169080037) is 2,2,4,10-tetramethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one.
What is the SMILES notation for 2,2,4,10-tetramethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one?
The canonical SMILES for 2,2,4,10-tetramethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one is CN1C(=O)C(C)(C)N2c3c1cccc3C1(C)CNCCC21.
What is the InChIKey of 2,2,4,10-tetramethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one?
The InChIKey is WVYHQOARZQHKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-16(2)15(21)19(4)12-7-5-6-11-14(12)20(16)13-8-9-18-10-17(11,13)3/h5-7,13,18H,8-10H2,1-4H3.
What are the key properties of 2,2,4,10-tetramethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one?
2,2,4,10-tetramethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one has a molecular weight of 285.39 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,10-tetramethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one is sourced from PubChem (CID 169080037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).