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

C13H27N3O — CID 145133855

IUPACethane;molecular hydrogen;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC.CC.Cc1nn(C)c2c1CC(C)C(=O)N2.[H][H]
InChIInChI=1S/C9H13N3O.2C2H6.H2/c1-5-4-7-6(2)11-12(3)8(7)10-9(5)13;2*1-2;/h5H,4H2,1-3H3,(H,10,13);2*1-2H3;1H
InChIKeyMPJDDBGHLNXLJO-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.16
Rot. Bonds

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

ethane;molecular hydrogen;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 145133855) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is ethane;molecular hydrogen;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Nameethane;molecular hydrogen;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID145133855
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Nameethane;molecular hydrogen;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC.CC.Cc1nn(C)c2c1CC(C)C(=O)N2.[H][H]
InChIInChI=1S/C9H13N3O.2C2H6.H2/c1-5-4-7-6(2)11-12(3)8(7)10-9(5)13;2*1-2;/h5H,4H2,1-3H3,(H,10,13);2*1-2H3;1H
InChIKeyMPJDDBGHLNXLJO-UHFFFAOYSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of ethane;molecular hydrogen;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 145133855) is ethane;molecular hydrogen;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for ethane;molecular hydrogen;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for ethane;molecular hydrogen;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CC.CC.Cc1nn(C)c2c1CC(C)C(=O)N2.[H][H].
What is the InChIKey of ethane;molecular hydrogen;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is MPJDDBGHLNXLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.2C2H6.H2/c1-5-4-7-6(2)11-12(3)8(7)10-9(5)13;2*1-2;/h5H,4H2,1-3H3,(H,10,13);2*1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
ethane;molecular hydrogen;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 241.38 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;1,3,5-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 145133855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).