10,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),9,11-trien-7-one

C11H13N3O — CID 136869026

IUPAC10,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),9,11-trien-7-one
SMILESCc1nn2c3c(c(=O)[nH]c2c1C)CCC3
InChIInChI=1S/C11H13N3O/c1-6-7(2)13-14-9-5-3-4-8(9)11(15)12-10(6)14/h3-5H2,1-2H3,(H,12,15)
InChIKeyYXCIIVDAEQEEDL-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.13
Rot. Bonds

About 10,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),9,11-trien-7-one

10,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),9,11-trien-7-one (PubChem CID 136869026) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 10,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),9,11-trien-7-one.

Molecular Properties

Compound Name10,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),9,11-trien-7-one
PubChem CID136869026
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name10,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),9,11-trien-7-one
SMILESCc1nn2c3c(c(=O)[nH]c2c1C)CCC3
InChIInChI=1S/C11H13N3O/c1-6-7(2)13-14-9-5-3-4-8(9)11(15)12-10(6)14/h3-5H2,1-2H3,(H,12,15)
InChIKeyYXCIIVDAEQEEDL-UHFFFAOYSA-N
XLogP1.13
TPSA50.16 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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),9,11-trien-7-one with MolForge

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Related Compounds

5-Tert-butyl-3-methyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875699
2-Ethyl-3,7-dimethylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135456526
(E)-N-(3-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazol-5-yl)but-2-enamide
CID 135551806
N-(3-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazol-5-yl)isobutyramide
CID 135551788
N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 135551784
N-(3-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazol-5-yl)propionamide
CID 135551785
N-(3-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazol-5-yl)pivalamide
CID 135551790
3-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]butanamide
CID 135551792
N-(3-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazol-5-yl)cyclopropanecarboxamide
CID 135551796
3-acetyl-4-methyl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one
CID 135590614
Tetramethylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135627012
1-tert-butyl-3,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 155424486

Frequently Asked Questions

What is the IUPAC name of 10,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),9,11-trien-7-one?
The IUPAC name of 10,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),9,11-trien-7-one (CID 136869026) is 10,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),9,11-trien-7-one.
What is the SMILES notation for 10,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),9,11-trien-7-one?
The canonical SMILES for 10,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),9,11-trien-7-one is Cc1nn2c3c(c(=O)[nH]c2c1C)CCC3.
What is the InChIKey of 10,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),9,11-trien-7-one?
The InChIKey is YXCIIVDAEQEEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-6-7(2)13-14-9-5-3-4-8(9)11(15)12-10(6)14/h3-5H2,1-2H3,(H,12,15).
What are the key properties of 10,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),9,11-trien-7-one?
10,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),9,11-trien-7-one has a molecular weight of 203.24 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),9,11-trien-7-one is sourced from PubChem (CID 136869026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).