1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione

C8H6N4O2 — CID 57134829

IUPAC1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione
SMILESO=C1NCc2c1nc1cc[nH]n1c2=O
InChIInChI=1S/C8H6N4O2/c13-7-6-4(3-9-7)8(14)12-5(11-6)1-2-10-12/h1-2,10H,3H2,(H,9,13)
InChIKeyNEUIWNKEBHUKCZ-UHFFFAOYSA-N
MW190.16 g/mol
LogP-0.73
Rot. Bonds

About 1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione

1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione (PubChem CID 57134829) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione.

Molecular Properties

Compound Name1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione
PubChem CID57134829
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione
SMILESO=C1NCc2c1nc1cc[nH]n1c2=O
InChIInChI=1S/C8H6N4O2/c13-7-6-4(3-9-7)8(14)12-5(11-6)1-2-10-12/h1-2,10H,3H2,(H,9,13)
InChIKeyNEUIWNKEBHUKCZ-UHFFFAOYSA-N
XLogP-0.73
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-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

5-[(2S)-butan-2-yl]-11-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione
CID 147411061
5-Propan-2-yl-11-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione
CID 150529227
5-[(2R)-butan-2-yl]-11-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione
CID 157887661
3-[3-(fluoromethyl)azetidine-1-carbonyl]-N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 175831006
5,6-dimethyl-7-oxo-N-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 20789834
N,2,6-trimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 23592542
N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 58099986
5-Methyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-10-carbonitrile
CID 90454753
N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide
CID 121371083
N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide
CID 121371102
ethane;N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 123800797
2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
CID 129034348

Frequently Asked Questions

What is the IUPAC name of 1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione?
The IUPAC name of 1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione (CID 57134829) is 1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione.
What is the SMILES notation for 1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione?
The canonical SMILES for 1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione is O=C1NCc2c1nc1cc[nH]n1c2=O.
What is the InChIKey of 1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione?
The InChIKey is NEUIWNKEBHUKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c13-7-6-4(3-9-7)8(14)12-5(11-6)1-2-10-12/h1-2,10H,3H2,(H,9,13).
What are the key properties of 1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione?
1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione has a molecular weight of 190.16 g/mol, XLogP of -0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione is sourced from PubChem (CID 57134829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).