2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one

C10H9N3O — CID 136659622

IUPAC2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
SMILESO=c1[nH]nc2c3c(cccc13)NCC2
InChIInChI=1S/C10H9N3O/c14-10-6-2-1-3-7-9(6)8(12-13-10)4-5-11-7/h1-3,11H,4-5H2,(H,13,14)
InChIKeyZWVGGUIMATUSOU-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.89
Rot. Bonds

About 2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one

2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one (PubChem CID 136659622) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one.

Molecular Properties

Compound Name2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
PubChem CID136659622
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
SMILESO=c1[nH]nc2c3c(cccc13)NCC2
InChIInChI=1S/C10H9N3O/c14-10-6-2-1-3-7-9(6)8(12-13-10)4-5-11-7/h1-3,11H,4-5H2,(H,13,14)
InChIKeyZWVGGUIMATUSOU-UHFFFAOYSA-N
XLogP0.89
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3,4-dihydroisoquinolin-1(2H)-one
CID 18369509
4-(anilinomethyl)-1(2H)-phthalazinone
CID 1482294
4-(3-(2-oxopyrrolidin-1-yl)benzyl)phthalazin-1(2H)-one
CID 18444370
N-(3-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)phenyl)butyramide
CID 44402096
N-{3-[(4-Oxo-3,4-dihydrophthalazin-1-yl)methyl]phenyl}propanamide
CID 44402230
8-(4-((Dimethylamino)methyl)phenyl)-5-fluoro-9-phenyl-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3 (7H)-one
CID 136056842
8-(4-((dimethylamino)methyl)phenyl)-9-(4-fluorophenyl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
CID 136056880
(11R,12S)-11-[4-(azetidin-1-ylmethyl)phenyl]-12-(4-fluorophenyl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
CID 136100291
8-(4-(Azetidin-1-ylmethyl)phenyl)-9-(4-fluorophenyl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
CID 136130843
8-(3-((dimethylamino)methyl)phenyl)-9-phenyl-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
CID 136130844
8,9-diphenyl-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
CID 136186300
8-(4-((Dimethylamino)methyl)phenyl)-5-fluoro-9-(4-fluorophenyl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
CID 136186310

Frequently Asked Questions

What is the IUPAC name of 2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?
The IUPAC name of 2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one (CID 136659622) is 2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one.
What is the SMILES notation for 2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?
The canonical SMILES for 2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one is O=c1[nH]nc2c3c(cccc13)NCC2.
What is the InChIKey of 2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?
The InChIKey is ZWVGGUIMATUSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-10-6-2-1-3-7-9(6)8(12-13-10)4-5-11-7/h1-3,11H,4-5H2,(H,13,14).
What are the key properties of 2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?
2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one has a molecular weight of 187.20 g/mol, XLogP of 0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one is sourced from PubChem (CID 136659622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).