13-methoxy-7-methyl-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one

C13H17N3O2 — CID 82763731

IUPAC13-methoxy-7-methyl-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one
SMILESCOc1ccc2c(n1)NC1CCCC1(C)C(=O)N2
InChIInChI=1S/C13H17N3O2/c1-13-7-3-4-9(13)15-11-8(14-12(13)17)5-6-10(16-11)18-2/h5-6,9H,3-4,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyFVLCHSJKCWDEKH-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.01
Rot. Bonds1

About 13-methoxy-7-methyl-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one

13-methoxy-7-methyl-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one (PubChem CID 82763731) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 13-methoxy-7-methyl-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one.

Molecular Properties

Compound Name13-methoxy-7-methyl-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one
PubChem CID82763731
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name13-methoxy-7-methyl-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one
SMILESCOc1ccc2c(n1)NC1CCCC1(C)C(=O)N2
InChIInChI=1S/C13H17N3O2/c1-13-7-3-4-9(13)15-11-8(14-12(13)17)5-6-10(16-11)18-2/h5-6,9H,3-4,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyFVLCHSJKCWDEKH-UHFFFAOYSA-N
XLogP2.01
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 13-methoxy-7-methyl-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one?
The IUPAC name of 13-methoxy-7-methyl-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one (CID 82763731) is 13-methoxy-7-methyl-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one.
What is the SMILES notation for 13-methoxy-7-methyl-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one?
The canonical SMILES for 13-methoxy-7-methyl-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one is COc1ccc2c(n1)NC1CCCC1(C)C(=O)N2.
What is the InChIKey of 13-methoxy-7-methyl-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one?
The InChIKey is FVLCHSJKCWDEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13-7-3-4-9(13)15-11-8(14-12(13)17)5-6-10(16-11)18-2/h5-6,9H,3-4,7H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 13-methoxy-7-methyl-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one?
13-methoxy-7-methyl-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one has a molecular weight of 247.30 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methoxy-7-methyl-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one is sourced from PubChem (CID 82763731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).