4,6-dimethyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5-trien-8-one

C11H13N3O — CID 135875690

IUPAC4,6-dimethyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5-trien-8-one
SMILESCc1nn(C)c2[nH]c3c(c(=O)c12)CCC3
InChIInChI=1S/C11H13N3O/c1-6-9-10(15)7-4-3-5-8(7)12-11(9)14(2)13-6/h3-5H2,1-2H3,(H,12,15)
InChIKeyKFOFHRKQORYZQW-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.06
Rot. Bonds

About 4,6-dimethyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5-trien-8-one

4,6-dimethyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5-trien-8-one (PubChem CID 135875690) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 4,6-dimethyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5-trien-8-one.

Molecular Properties

Compound Name4,6-dimethyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5-trien-8-one
PubChem CID135875690
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name4,6-dimethyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5-trien-8-one
SMILESCc1nn(C)c2[nH]c3c(c(=O)c12)CCC3
InChIInChI=1S/C11H13N3O/c1-6-9-10(15)7-4-3-5-8(7)12-11(9)14(2)13-6/h3-5H2,1-2H3,(H,12,15)
InChIKeyKFOFHRKQORYZQW-UHFFFAOYSA-N
XLogP1.06
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,6-dimethyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5-trien-8-one with MolForge

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Related Compounds

3,5-Dimethyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135621700
4,6-Dimethyl-11-thia-2,4,5-triazatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7),5-trien-8-one
CID 135452280
1,3-dimethyl-1H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-4-one
CID 135875691
5-amino-3-cyclohexyl-1-methyl-1H-pyrazole-4-carboxamide
CID 23024270
5,5-difluoro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridine-4,6-dione
CID 168146503
1-(5-Amino-3-cyclobutyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanone
CID 121597342
5-Amino-3-ethyl-1-nonylpyrazole-4-carboxamide
CID 21266066
5-Amino-3-ethyl-1-octylpyrazole-4-carboxamide
CID 21266072
5-Amino-3-cyclohexyl-1-ethylpyrazole-4-carboxamide
CID 23024298
5-Amino-3-(cyclobutylmethyl)-1-propylpyrazole-4-carboxamide
CID 53868488
1-[5-Amino-1,3-bis(prop-2-enyl)pyrazol-4-yl]hexan-1-one
CID 70541891
1-Methyl-5-(methylamino)-3-propylpyrazole-4-carboxamide
CID 89019714

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5-trien-8-one?
The IUPAC name of 4,6-dimethyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5-trien-8-one (CID 135875690) is 4,6-dimethyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5-trien-8-one.
What is the SMILES notation for 4,6-dimethyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5-trien-8-one?
The canonical SMILES for 4,6-dimethyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5-trien-8-one is Cc1nn(C)c2[nH]c3c(c(=O)c12)CCC3.
What is the InChIKey of 4,6-dimethyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5-trien-8-one?
The InChIKey is KFOFHRKQORYZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-6-9-10(15)7-4-3-5-8(7)12-11(9)14(2)13-6/h3-5H2,1-2H3,(H,12,15).
What are the key properties of 4,6-dimethyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5-trien-8-one?
4,6-dimethyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5-trien-8-one has a molecular weight of 203.24 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5-trien-8-one is sourced from PubChem (CID 135875690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).