N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide

C8H12N6O2S — CID 102693083

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)c2ccn[nH]2)n[nH]1
InChIInChI=1S/C8H12N6O2S/c1-6-10-7(12-11-6)5-14(2)17(15,16)8-3-4-9-13-8/h3-4H,5H2,1-2H3,(H,9,13)(H,10,11,12)
InChIKeyGGDWEAYTAIVKQV-UHFFFAOYSA-N
MW256.29 g/mol
LogP-0.34
Rot. Bonds4

About N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102693083) has the molecular formula C8H12N6O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID102693083
Molecular FormulaC8H12N6O2S
Molecular Weight256.29 g/mol
Exact Mass256.07
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)c2ccn[nH]2)n[nH]1
InChIInChI=1S/C8H12N6O2S/c1-6-10-7(12-11-6)5-14(2)17(15,16)8-3-4-9-13-8/h3-4H,5H2,1-2H3,(H,9,13)(H,10,11,12)
InChIKeyGGDWEAYTAIVKQV-UHFFFAOYSA-N
XLogP-0.34
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide (CID 102693083) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide is Cc1nc(CN(C)S(=O)(=O)c2ccn[nH]2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is GGDWEAYTAIVKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2S/c1-6-10-7(12-11-6)5-14(2)17(15,16)8-3-4-9-13-8/h3-4H,5H2,1-2H3,(H,9,13)(H,10,11,12).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 256.29 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).