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

C9H12N6O2S — CID 103306233

IUPAC3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)c1ncccc1N
InChIInChI=1S/C9H12N6O2S/c1-15(5-8-12-6-13-14-8)18(16,17)9-7(10)3-2-4-11-9/h2-4,6H,5,10H2,1H3,(H,12,13,14)
InChIKeyYCTVQMLUDLIXBN-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.40
Rot. Bonds4

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

3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide (PubChem CID 103306233) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide
PubChem CID103306233
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)c1ncccc1N
InChIInChI=1S/C9H12N6O2S/c1-15(5-8-12-6-13-14-8)18(16,17)9-7(10)3-2-4-11-9/h2-4,6H,5,10H2,1H3,(H,12,13,14)
InChIKeyYCTVQMLUDLIXBN-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-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide
CID 64517173
2-amino-6-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64512147
2-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide
CID 64517471
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-5-sulfonamide
CID 104774035
4-amino-3-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 82844189
2-amino-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64511759
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide
CID 103305076
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide
CID 103306091
3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
CID 103305507
3-amino-N,1,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 105358991
3-amino-5-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64512148
N-methyl-4-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64518617

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide?
The IUPAC name of 3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide (CID 103306233) is 3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide?
The canonical SMILES for 3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide is CN(Cc1ncn[nH]1)S(=O)(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide?
The InChIKey is YCTVQMLUDLIXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-15(5-8-12-6-13-14-8)18(16,17)9-7(10)3-2-4-11-9/h2-4,6H,5,10H2,1H3,(H,12,13,14).
What are the key properties of 3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide?
3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-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 3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 103306233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).