3,7,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,9,11,13-hexaen-8-one

C10H6N4O — CID 156697082

IUPAC3,7,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,9,11,13-hexaen-8-one
SMILESO=c1nc2cccnc2c2ncccn12
InChIInChI=1S/C10H6N4O/c15-10-13-7-3-1-4-11-8(7)9-12-5-2-6-14(9)10/h1-6H
InChIKeyRTSQEBBYXVHMSY-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.64
Rot. Bonds

About 3,7,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,9,11,13-hexaen-8-one

3,7,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,9,11,13-hexaen-8-one (PubChem CID 156697082) has the molecular formula C10H6N4O and a molecular weight of 198.19 g/mol. Its IUPAC name is 3,7,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,9,11,13-hexaen-8-one.

Molecular Properties

Compound Name3,7,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,9,11,13-hexaen-8-one
PubChem CID156697082
Molecular FormulaC10H6N4O
Molecular Weight198.19 g/mol
Exact Mass198.05
IUPAC Name3,7,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,9,11,13-hexaen-8-one
SMILESO=c1nc2cccnc2c2ncccn12
InChIInChI=1S/C10H6N4O/c15-10-13-7-3-1-4-11-8(7)9-12-5-2-6-14(9)10/h1-6H
InChIKeyRTSQEBBYXVHMSY-UHFFFAOYSA-N
XLogP0.64
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,7,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,9,11,13-hexaen-8-one 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

4-methylpyrido[2,3-e][1,2,4]triazin-3-one
CID 59061424
pyrimido[1,2-c]pyrimidin-6-one
CID 156697085
17-thia-2,7,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-9-one
CID 10060817
[1,2,5]thiadiazolo[3,4-c]azepin-4-one
CID 172806104
10-methoxy-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
CID 101467836
2H-[1,2,4]triazolo[4,3-h][1,7]naphthyridin-3-one
CID 66629455
7-(4-methylphenyl)-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene
CID 132531037
2-fluoropyrido[3,2-d]pyrimidin-4-amine
CID 142156333
7-propan-2-yl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 177470797
2,4-dimethylpyrido[2,3-b]pyrazin-3-one;ethane
CID 90706892
1,9,15-triazatetracyclo[12.4.0.02,7.08,13]octadeca-2,4,6,8(13),9,11,14,17-octaen-16-one
CID 90254240
7-pyrrolidin-1-yl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 19978082

Frequently Asked Questions

What is the IUPAC name of 3,7,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,9,11,13-hexaen-8-one?
The IUPAC name of 3,7,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,9,11,13-hexaen-8-one (CID 156697082) is 3,7,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,9,11,13-hexaen-8-one.
What is the SMILES notation for 3,7,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,9,11,13-hexaen-8-one?
The canonical SMILES for 3,7,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,9,11,13-hexaen-8-one is O=c1nc2cccnc2c2ncccn12.
What is the InChIKey of 3,7,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,9,11,13-hexaen-8-one?
The InChIKey is RTSQEBBYXVHMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O/c15-10-13-7-3-1-4-11-8(7)9-12-5-2-6-14(9)10/h1-6H.
What are the key properties of 3,7,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,9,11,13-hexaen-8-one?
3,7,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,9,11,13-hexaen-8-one has a molecular weight of 198.19 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,9,11,13-hexaen-8-one is sourced from PubChem (CID 156697082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).