N,N-dihydroxy-2-methylsulfonylpyrazolo[1,5-a]pyridin-3-amine

C8H9N3O4S — CID 88944625

IUPACN,N-dihydroxy-2-methylsulfonylpyrazolo[1,5-a]pyridin-3-amine
SMILESCS(=O)(=O)c1nn2ccccc2c1N(O)O
InChIInChI=1S/C8H9N3O4S/c1-16(14,15)8-7(11(12)13)6-4-2-3-5-10(6)9-8/h2-5,12-13H,1H3
InChIKeySEQFQFAIOIDITG-UHFFFAOYSA-N
MW243.24 g/mol
LogP0.32
Rot. Bonds2

About N,N-dihydroxy-2-methylsulfonylpyrazolo[1,5-a]pyridin-3-amine

N,N-dihydroxy-2-methylsulfonylpyrazolo[1,5-a]pyridin-3-amine (PubChem CID 88944625) has the molecular formula C8H9N3O4S and a molecular weight of 243.24 g/mol. Its IUPAC name is N,N-dihydroxy-2-methylsulfonylpyrazolo[1,5-a]pyridin-3-amine.

Molecular Properties

Compound NameN,N-dihydroxy-2-methylsulfonylpyrazolo[1,5-a]pyridin-3-amine
PubChem CID88944625
Molecular FormulaC8H9N3O4S
Molecular Weight243.24 g/mol
Exact Mass243.03
IUPAC NameN,N-dihydroxy-2-methylsulfonylpyrazolo[1,5-a]pyridin-3-amine
SMILESCS(=O)(=O)c1nn2ccccc2c1N(O)O
InChIInChI=1S/C8H9N3O4S/c1-16(14,15)8-7(11(12)13)6-4-2-3-5-10(6)9-8/h2-5,12-13H,1H3
InChIKeySEQFQFAIOIDITG-UHFFFAOYSA-N
XLogP0.32
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dihydroxy-2-methylsulfonylpyrazolo[1,5-a]pyridin-3-amine?
The IUPAC name of N,N-dihydroxy-2-methylsulfonylpyrazolo[1,5-a]pyridin-3-amine (CID 88944625) is N,N-dihydroxy-2-methylsulfonylpyrazolo[1,5-a]pyridin-3-amine.
What is the SMILES notation for N,N-dihydroxy-2-methylsulfonylpyrazolo[1,5-a]pyridin-3-amine?
The canonical SMILES for N,N-dihydroxy-2-methylsulfonylpyrazolo[1,5-a]pyridin-3-amine is CS(=O)(=O)c1nn2ccccc2c1N(O)O.
What is the InChIKey of N,N-dihydroxy-2-methylsulfonylpyrazolo[1,5-a]pyridin-3-amine?
The InChIKey is SEQFQFAIOIDITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4S/c1-16(14,15)8-7(11(12)13)6-4-2-3-5-10(6)9-8/h2-5,12-13H,1H3.
What are the key properties of N,N-dihydroxy-2-methylsulfonylpyrazolo[1,5-a]pyridin-3-amine?
N,N-dihydroxy-2-methylsulfonylpyrazolo[1,5-a]pyridin-3-amine has a molecular weight of 243.24 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxy-2-methylsulfonylpyrazolo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 88944625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).