1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-one

C7H11N3O — CID 84649764

IUPAC1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCn1[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C7H11N3O/c1-10-6-5(7(11)9-10)3-2-4-8-6/h8H,2-4H2,1H3,(H,9,11)
InChIKeyRDTKBODNUQTGGV-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.07
Rot. Bonds

About 1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-one

1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 84649764) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID84649764
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCn1[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C7H11N3O/c1-10-6-5(7(11)9-10)3-2-4-8-6/h8H,2-4H2,1H3,(H,9,11)
InChIKeyRDTKBODNUQTGGV-UHFFFAOYSA-N
XLogP0.07
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-one (CID 84649764) is 1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-one is Cn1[nH]c(=O)c2c1NCCC2.
What is the InChIKey of 1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is RDTKBODNUQTGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-10-6-5(7(11)9-10)3-2-4-8-6/h8H,2-4H2,1H3,(H,9,11).
What are the key properties of 1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-one?
1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 153.19 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 84649764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).