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

C14H17N3O — CID 169190051

IUPAC(10R)-10-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one
SMILESC[C@@]12CNCCC1N1CC(=O)Nc3cccc2c31
InChIInChI=1S/C14H17N3O/c1-14-8-15-6-5-11(14)17-7-12(18)16-10-4-2-3-9(14)13(10)17/h2-4,11,15H,5-8H2,1H3,(H,16,18)/t11?,14-/m0/s1
InChIKeyKXQDXLYDHVQSBD-IAXJKZSUSA-N
MW243.31 g/mol
LogP1.08
Rot. Bonds

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

(10R)-10-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one (PubChem CID 169190051) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (10R)-10-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one.

Molecular Properties

Compound Name(10R)-10-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one
PubChem CID169190051
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(10R)-10-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one
SMILESC[C@@]12CNCCC1N1CC(=O)Nc3cccc2c31
InChIInChI=1S/C14H17N3O/c1-14-8-15-6-5-11(14)17-7-12(18)16-10-4-2-3-9(14)13(10)17/h2-4,11,15H,5-8H2,1H3,(H,16,18)/t11?,14-/m0/s1
InChIKeyKXQDXLYDHVQSBD-IAXJKZSUSA-N
XLogP1.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (10R)-10-methyl-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

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
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
(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
4-cyclopropyl-5-methyl-1,3-dihydroquinoxalin-2-one
CID 115554224
9b-methyl-1,2,3,4,4a,5-hexahydropyrido[4,3-b]indole
CID 146498779
5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one
CID 115095436
3-methyl-3-piperidin-4-yl-1,2-dihydroindole
CID 142892707
5-cyclopropyl-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 115554226
4-tert-butyl-5-methyl-1,3-dihydroquinoxalin-2-one
CID 115554274
(9R)-9-methyl-2-[(2-methylphenyl)methyl]-2,4,7,11-tetrazatricyclo[7.4.0.03,7]tridec-3-en-8-one
CID 144939578
9-methyl-2-[(2-methylphenyl)methyl]-2,4,7,11-tetrazatricyclo[7.4.0.03,7]tridec-3-en-8-one
CID 123399679

Frequently Asked Questions

What is the IUPAC name of (10R)-10-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one?
The IUPAC name of (10R)-10-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one (CID 169190051) is (10R)-10-methyl-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 (10R)-10-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one?
The canonical SMILES for (10R)-10-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one is C[C@@]12CNCCC1N1CC(=O)Nc3cccc2c31.
What is the InChIKey of (10R)-10-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one?
The InChIKey is KXQDXLYDHVQSBD-IAXJKZSUSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14-8-15-6-5-11(14)17-7-12(18)16-10-4-2-3-9(14)13(10)17/h2-4,11,15H,5-8H2,1H3,(H,16,18)/t11?,14-/m0/s1.
What are the key properties of (10R)-10-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one?
(10R)-10-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one has a molecular weight of 243.31 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one is sourced from PubChem (CID 169190051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).