5,7,12-trimethyl-1,5,7,9-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-4,6-dione

C13H14N4O2 — CID 13142825

IUPAC5,7,12-trimethyl-1,5,7,9-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-4,6-dione
SMILESCC1=CC2=Nc3c(c(=O)n(C)c(=O)n3C)CN2C=C1
InChIInChI=1S/C13H14N4O2/c1-8-4-5-17-7-9-11(14-10(17)6-8)15(2)13(19)16(3)12(9)18/h4-6H,7H2,1-3H3
InChIKeyNGSWWZCZQWCHTB-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.40
Rot. Bonds

About 5,7,12-trimethyl-1,5,7,9-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-4,6-dione

5,7,12-trimethyl-1,5,7,9-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-4,6-dione (PubChem CID 13142825) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5,7,12-trimethyl-1,5,7,9-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-4,6-dione.

Molecular Properties

Compound Name5,7,12-trimethyl-1,5,7,9-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-4,6-dione
PubChem CID13142825
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name5,7,12-trimethyl-1,5,7,9-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-4,6-dione
SMILESCC1=CC2=Nc3c(c(=O)n(C)c(=O)n3C)CN2C=C1
InChIInChI=1S/C13H14N4O2/c1-8-4-5-17-7-9-11(14-10(17)6-8)15(2)13(19)16(3)12(9)18/h4-6H,7H2,1-3H3
InChIKeyNGSWWZCZQWCHTB-UHFFFAOYSA-N
XLogP0.40
TPSA59.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,7,12-trimethyl-1,5,7,9-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-4,6-dione 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

1-ET-2-Imino-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide
CID 706429
1-Allyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 706399
1-Ethyl-2-imino-10-methyl-5-oxo-1,6-dihydropyridino[2,3-d]pyridino[1,2-a]pyrim idine-3-carboxamide
CID 649624
8-Methylpyrido[1,2-a]pyrimidine-2,4-dione
CID 56695261
5,7-Dimethyl-1,5,7,9-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,4,6-trione
CID 337371
2-Imino-10-oxo-1-propyl-1,10-dihydro-2H-1,9,10a-triazaanthracene-3-carboxylic acid, amide
CID 706446
5-[(4-oxopyrido[2,3-d]pyrimidin-8-yl)methyl]-1H-pyrimidine-2,4-dione
CID 323618
1-Methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidin-3-YL cyanide
CID 23604810
5-(Dimethylamino)-1,3-dimethyl-1,10a-dihydro-2H-pyrido[1,2-a]pyrimido[4,5-d]pyrimidine-2,4(3H)-dione
CID 337370
1,3-Dimethyl-4-(1-pyrrolidinyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimido[4,5-d]pyrimidine-2,5(1H)-dione
CID 375439
8-Methyl-2,3-dihydro-4h-pyrido[1,2-a]pyrimidin-4-one
CID 129892480
6-Butyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraene-2,5-dione
CID 146161889

Frequently Asked Questions

What is the IUPAC name of 5,7,12-trimethyl-1,5,7,9-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-4,6-dione?
The IUPAC name of 5,7,12-trimethyl-1,5,7,9-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-4,6-dione (CID 13142825) is 5,7,12-trimethyl-1,5,7,9-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-4,6-dione.
What is the SMILES notation for 5,7,12-trimethyl-1,5,7,9-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-4,6-dione?
The canonical SMILES for 5,7,12-trimethyl-1,5,7,9-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-4,6-dione is CC1=CC2=Nc3c(c(=O)n(C)c(=O)n3C)CN2C=C1.
What is the InChIKey of 5,7,12-trimethyl-1,5,7,9-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-4,6-dione?
The InChIKey is NGSWWZCZQWCHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-4-5-17-7-9-11(14-10(17)6-8)15(2)13(19)16(3)12(9)18/h4-6H,7H2,1-3H3.
What are the key properties of 5,7,12-trimethyl-1,5,7,9-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-4,6-dione?
5,7,12-trimethyl-1,5,7,9-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-4,6-dione has a molecular weight of 258.28 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,12-trimethyl-1,5,7,9-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-4,6-dione is sourced from PubChem (CID 13142825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).