3-amino-5-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C7H10N4O — CID 135423454

IUPAC3-amino-5-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCC1Cc2c(n[nH]c2N)NC1=O
InChIInChI=1S/C7H10N4O/c1-3-2-4-5(8)10-11-6(4)9-7(3)12/h3H,2H2,1H3,(H4,8,9,10,11,12)
InChIKeySMZXZHSBDABAPQ-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.12
Rot. Bonds

About 3-amino-5-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

3-amino-5-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 135423454) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-amino-5-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-amino-5-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID135423454
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name3-amino-5-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCC1Cc2c(n[nH]c2N)NC1=O
InChIInChI=1S/C7H10N4O/c1-3-2-4-5(8)10-11-6(4)9-7(3)12/h3H,2H2,1H3,(H4,8,9,10,11,12)
InChIKeySMZXZHSBDABAPQ-UHFFFAOYSA-N
XLogP0.12
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 3-amino-5-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 135423454) is 3-amino-5-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 3-amino-5-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3-amino-5-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is CC1Cc2c(n[nH]c2N)NC1=O.
What is the InChIKey of 3-amino-5-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is SMZXZHSBDABAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-3-2-4-5(8)10-11-6(4)9-7(3)12/h3H,2H2,1H3,(H4,8,9,10,11,12).
What are the key properties of 3-amino-5-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
3-amino-5-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 166.18 g/mol, XLogP of 0.12, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 135423454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).