6-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]pyridine-3-carboxylic acid

C10H11N5O4S — CID 64511818

IUPAC6-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C10H11N5O4S/c1-15(5-8-12-6-13-14-8)20(18,19)9-3-2-7(4-11-9)10(16)17/h2-4,6H,5H2,1H3,(H,16,17)(H,12,13,14)
InChIKeyMZSUXUCUUJYWBX-UHFFFAOYSA-N
MW297.30 g/mol
LogP-0.28
Rot. Bonds5

About 6-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]pyridine-3-carboxylic acid

6-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 64511818) has the molecular formula C10H11N5O4S and a molecular weight of 297.30 g/mol. Its IUPAC name is 6-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID64511818
Molecular FormulaC10H11N5O4S
Molecular Weight297.30 g/mol
Exact Mass297.05
IUPAC Name6-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C10H11N5O4S/c1-15(5-8-12-6-13-14-8)20(18,19)9-3-2-7(4-11-9)10(16)17/h2-4,6H,5H2,1H3,(H,16,17)(H,12,13,14)
InChIKeyMZSUXUCUUJYWBX-UHFFFAOYSA-N
XLogP-0.28
TPSA129.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 64512983
6-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-3-carboxylic acid
CID 64512592
6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid
CID 63872994
2-methyl-3-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzoic acid
CID 64512210
6-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]pyridine-3-carboxylic acid
CID 63871848
N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propane-2-sulfonamide
CID 64517066
2-methyl-5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzamide
CID 64517256
2-fluoro-N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 99801961
4-methyl-3-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]benzoic acid
CID 64517335
6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872028
N-methyl-4-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64518617
6-methylsulfonylpyridine-3-carboxylic acid
CID 53429616

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]pyridine-3-carboxylic acid (CID 64511818) is 6-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]pyridine-3-carboxylic acid is CN(Cc1ncn[nH]1)S(=O)(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is MZSUXUCUUJYWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4S/c1-15(5-8-12-6-13-14-8)20(18,19)9-3-2-7(4-11-9)10(16)17/h2-4,6H,5H2,1H3,(H,16,17)(H,12,13,14).
What are the key properties of 6-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]pyridine-3-carboxylic acid?
6-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 297.30 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 64511818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).