6-methyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one

C11H14N4O — CID 79966197

IUPAC6-methyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one
SMILESCc1ccnc2c1NC(=O)C1CNCCN21
InChIInChI=1S/C11H14N4O/c1-7-2-3-13-10-9(7)14-11(16)8-6-12-4-5-15(8)10/h2-3,8,12H,4-6H2,1H3,(H,14,16)
InChIKeyGWZNJUPBVNWMIR-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.12
Rot. Bonds

About 6-methyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one

6-methyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one (PubChem CID 79966197) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-methyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one.

Molecular Properties

Compound Name6-methyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one
PubChem CID79966197
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name6-methyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one
SMILESCc1ccnc2c1NC(=O)C1CNCCN21
InChIInChI=1S/C11H14N4O/c1-7-2-3-13-10-9(7)14-11(16)8-6-12-4-5-15(8)10/h2-3,8,12H,4-6H2,1H3,(H,14,16)
InChIKeyGWZNJUPBVNWMIR-UHFFFAOYSA-N
XLogP0.12
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one with MolForge

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Related Compounds

7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 84626661
7-chloro-9-methyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 84634517
(10S)-4-fluoro-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one;hydrochloride
CID 167438965
4-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265834
4-ethyl-2-propan-2-yl-5,6a,7,8,9,10-hexahydropyrazino[2,1-h]pteridin-6-one
CID 176926942
(7R)-16-chloro-15-(2-fluoro-6-methoxyphenyl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione
CID 156732200
4-chloro-5,8-dimethyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one
CID 167173799
(10S)-4-fluoro-1,5,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one;hydrochloride
CID 167438879
2-cyclopropyl-7,12-dimethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,13-pentaen-10-one
CID 143934392
1-[2-(2H-triazol-4-yl)piperazin-1-yl]isoquinoline
CID 68719653
2-methyl-4-(2-phenylpiperazin-1-yl)pyrimidine
CID 110096847
2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
CID 10467350

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one?
The IUPAC name of 6-methyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one (CID 79966197) is 6-methyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one.
What is the SMILES notation for 6-methyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one?
The canonical SMILES for 6-methyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one is Cc1ccnc2c1NC(=O)C1CNCCN21.
What is the InChIKey of 6-methyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one?
The InChIKey is GWZNJUPBVNWMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7-2-3-13-10-9(7)14-11(16)8-6-12-4-5-15(8)10/h2-3,8,12H,4-6H2,1H3,(H,14,16).
What are the key properties of 6-methyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one?
6-methyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one has a molecular weight of 218.26 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one is sourced from PubChem (CID 79966197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).