2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide

C9H12N6O2S — CID 64517173

IUPAC2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C9H12N6O2S/c1-15(5-8-12-6-13-14-8)18(16,17)7-3-2-4-11-9(7)10/h2-4,6H,5H2,1H3,(H2,10,11)(H,12,13,14)
InChIKeyNRAOXVOMMPMKPX-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.40
Rot. Bonds4

About 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide

2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide (PubChem CID 64517173) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide
PubChem CID64517173
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C9H12N6O2S/c1-15(5-8-12-6-13-14-8)18(16,17)7-3-2-4-11-9(7)10/h2-4,6H,5H2,1H3,(H2,10,11)(H,12,13,14)
InChIKeyNRAOXVOMMPMKPX-UHFFFAOYSA-N
XLogP-0.40
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide
CID 64517471
3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide
CID 103306233
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-5-sulfonamide
CID 104774035
2-methyl-3-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzoic acid
CID 64512210
2-amino-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64511759
2-amino-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62146162
3-amino-N-methyl-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 64510009
2-fluoro-6-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzenecarbothioamide
CID 64517889
2-amino-6-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64512147
3-amino-N,1,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 105358991
N,2-dimethyl-3-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64518800
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide
CID 79381363

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide (CID 64517173) is 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide is CN(Cc1ncn[nH]1)S(=O)(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is NRAOXVOMMPMKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-15(5-8-12-6-13-14-8)18(16,17)7-3-2-4-11-9(7)10/h2-4,6H,5H2,1H3,(H2,10,11)(H,12,13,14).
What are the key properties of 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide?
2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 268.30 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64517173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).