8-[2-(dimethylamino)ethyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one

C14H20N4O — CID 13342084

IUPAC8-[2-(dimethylamino)ethyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
SMILESCN(C)CCN1C(=O)C2CCCN2c2ncccc21
InChIInChI=1S/C14H20N4O/c1-16(2)9-10-18-11-5-3-7-15-13(11)17-8-4-6-12(17)14(18)19/h3,5,7,12H,4,6,8-10H2,1-2H3
InChIKeyMTVZMSMXPBELGB-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.96
Rot. Bonds3

About 8-[2-(dimethylamino)ethyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one

8-[2-(dimethylamino)ethyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one (PubChem CID 13342084) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 8-[2-(dimethylamino)ethyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one.

Molecular Properties

Compound Name8-[2-(dimethylamino)ethyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
PubChem CID13342084
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name8-[2-(dimethylamino)ethyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
SMILESCN(C)CCN1C(=O)C2CCCN2c2ncccc21
InChIInChI=1S/C14H20N4O/c1-16(2)9-10-18-11-5-3-7-15-13(11)17-8-4-6-12(17)14(18)19/h3,5,7,12H,4,6,8-10H2,1-2H3
InChIKeyMTVZMSMXPBELGB-UHFFFAOYSA-N
XLogP0.96
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(dimethylamino)ethyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one?
The IUPAC name of 8-[2-(dimethylamino)ethyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one (CID 13342084) is 8-[2-(dimethylamino)ethyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one.
What is the SMILES notation for 8-[2-(dimethylamino)ethyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one?
The canonical SMILES for 8-[2-(dimethylamino)ethyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one is CN(C)CCN1C(=O)C2CCCN2c2ncccc21.
What is the InChIKey of 8-[2-(dimethylamino)ethyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one?
The InChIKey is MTVZMSMXPBELGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-16(2)9-10-18-11-5-3-7-15-13(11)17-8-4-6-12(17)14(18)19/h3,5,7,12H,4,6,8-10H2,1-2H3.
What are the key properties of 8-[2-(dimethylamino)ethyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one?
8-[2-(dimethylamino)ethyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one has a molecular weight of 260.34 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(dimethylamino)ethyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one is sourced from PubChem (CID 13342084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).