ethane;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C11H19N3O — CID 144912073

IUPACethane;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC.Cc1nn(C)c2c1CC(C)C(=O)N2
InChIInChI=1S/C9H13N3O.C2H6/c1-5-4-7-6(2)11-12(3)8(7)10-9(5)13;1-2/h5H,4H2,1-3H3,(H,10,13);1-2H3
InChIKeyANXUYBCBOAHGII-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.89
Rot. Bonds

About ethane;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

ethane;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 144912073) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is ethane;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Nameethane;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID144912073
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Nameethane;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC.Cc1nn(C)c2c1CC(C)C(=O)N2
InChIInChI=1S/C9H13N3O.C2H6/c1-5-4-7-6(2)11-12(3)8(7)10-9(5)13;1-2/h5H,4H2,1-3H3,(H,10,13);1-2H3
InChIKeyANXUYBCBOAHGII-UHFFFAOYSA-N
XLogP1.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of ethane;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 144912073) is ethane;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for ethane;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for ethane;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CC.Cc1nn(C)c2c1CC(C)C(=O)N2.
What is the InChIKey of ethane;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is ANXUYBCBOAHGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.C2H6/c1-5-4-7-6(2)11-12(3)8(7)10-9(5)13;1-2/h5H,4H2,1-3H3,(H,10,13);1-2H3.
What are the key properties of ethane;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
ethane;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 209.29 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 144912073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).