2-hydrazinyl-N-(1-methylpyrazol-3-yl)pyridine-3-sulfonamide

C9H12N6O2S — CID 60809974

IUPAC2-hydrazinyl-N-(1-methylpyrazol-3-yl)pyridine-3-sulfonamide
SMILESCn1ccc(NS(=O)(=O)c2cccnc2NN)n1
InChIInChI=1S/C9H12N6O2S/c1-15-6-4-8(13-15)14-18(16,17)7-3-2-5-11-9(7)12-10/h2-6H,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyMFBMPUXCCIPREC-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.10
Rot. Bonds4

About 2-hydrazinyl-N-(1-methylpyrazol-3-yl)pyridine-3-sulfonamide

2-hydrazinyl-N-(1-methylpyrazol-3-yl)pyridine-3-sulfonamide (PubChem CID 60809974) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-hydrazinyl-N-(1-methylpyrazol-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(1-methylpyrazol-3-yl)pyridine-3-sulfonamide
PubChem CID60809974
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name2-hydrazinyl-N-(1-methylpyrazol-3-yl)pyridine-3-sulfonamide
SMILESCn1ccc(NS(=O)(=O)c2cccnc2NN)n1
InChIInChI=1S/C9H12N6O2S/c1-15-6-4-8(13-15)14-18(16,17)7-3-2-5-11-9(7)12-10/h2-6H,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyMFBMPUXCCIPREC-UHFFFAOYSA-N
XLogP-0.10
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(1-methylpyrazol-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-hydrazinyl-N-(1-methylpyrazol-3-yl)pyridine-3-sulfonamide (CID 60809974) is 2-hydrazinyl-N-(1-methylpyrazol-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-(1-methylpyrazol-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-hydrazinyl-N-(1-methylpyrazol-3-yl)pyridine-3-sulfonamide is Cn1ccc(NS(=O)(=O)c2cccnc2NN)n1.
What is the InChIKey of 2-hydrazinyl-N-(1-methylpyrazol-3-yl)pyridine-3-sulfonamide?
The InChIKey is MFBMPUXCCIPREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-15-6-4-8(13-15)14-18(16,17)7-3-2-5-11-9(7)12-10/h2-6H,10H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-hydrazinyl-N-(1-methylpyrazol-3-yl)pyridine-3-sulfonamide?
2-hydrazinyl-N-(1-methylpyrazol-3-yl)pyridine-3-sulfonamide has a molecular weight of 268.30 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(1-methylpyrazol-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 60809974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).