2-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-sulfonamide

C9H13N7O2S — CID 55037929

IUPAC2-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-sulfonamide
SMILESCn1cnnc1CNS(=O)(=O)c1ccnc(NN)c1
InChIInChI=1S/C9H13N7O2S/c1-16-6-12-15-9(16)5-13-19(17,18)7-2-3-11-8(4-7)14-10/h2-4,6,13H,5,10H2,1H3,(H,11,14)
InChIKeyPHRGAEMNBAVMKQ-UHFFFAOYSA-N
MW283.32 g/mol
LogP-1.03
Rot. Bonds5

About 2-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-sulfonamide

2-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-sulfonamide (PubChem CID 55037929) has the molecular formula C9H13N7O2S and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-sulfonamide
PubChem CID55037929
Molecular FormulaC9H13N7O2S
Molecular Weight283.32 g/mol
Exact Mass283.09
IUPAC Name2-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-sulfonamide
SMILESCn1cnnc1CNS(=O)(=O)c1ccnc(NN)c1
InChIInChI=1S/C9H13N7O2S/c1-16-6-12-15-9(16)5-13-19(17,18)7-2-3-11-8(4-7)14-10/h2-4,6,13H,5,10H2,1H3,(H,11,14)
InChIKeyPHRGAEMNBAVMKQ-UHFFFAOYSA-N
XLogP-1.03
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 61127965
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methylamino)pyridine-4-sulfonamide
CID 106304083
6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide
CID 35387073
N-[(4-ethylphenyl)methyl]-2-hydrazinylpyridine-4-sulfonamide
CID 106900184
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422086
4-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-nitrobenzenesulfonamide
CID 61047273
5-amino-3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide
CID 63980428
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 55171581
N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-sulfonamide
CID 61003915
2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-4-sulfonamide
CID 114184093
3-amino-5-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 116791657
2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide
CID 61004239

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-sulfonamide?
The IUPAC name of 2-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-sulfonamide (CID 55037929) is 2-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-sulfonamide is Cn1cnnc1CNS(=O)(=O)c1ccnc(NN)c1.
What is the InChIKey of 2-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-sulfonamide?
The InChIKey is PHRGAEMNBAVMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O2S/c1-16-6-12-15-9(16)5-13-19(17,18)7-2-3-11-8(4-7)14-10/h2-4,6,13H,5,10H2,1H3,(H,11,14).
What are the key properties of 2-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-sulfonamide?
2-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-sulfonamide has a molecular weight of 283.32 g/mol, XLogP of -1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-sulfonamide is sourced from PubChem (CID 55037929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).