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

C8H12N6O2S — CID 64511314

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)c2cn[nH]c2)n[nH]1
InChIInChI=1S/C8H12N6O2S/c1-6-11-8(13-12-6)5-14(2)17(15,16)7-3-9-10-4-7/h3-4H,5H2,1-2H3,(H,9,10)(H,11,12,13)
InChIKeyIFIHTIVQIDQDDB-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-4-sulfonamide

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 64511314) 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-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID64511314
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-4-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)c2cn[nH]c2)n[nH]1
InChIInChI=1S/C8H12N6O2S/c1-6-11-8(13-12-6)5-14(2)17(15,16)7-3-9-10-4-7/h3-4H,5H2,1-2H3,(H,9,10)(H,11,12,13)
InChIKeyIFIHTIVQIDQDDB-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-4-sulfonamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 64511314) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide is Cc1nc(CN(C)S(=O)(=O)c2cn[nH]c2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is IFIHTIVQIDQDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2S/c1-6-11-8(13-12-6)5-14(2)17(15,16)7-3-9-10-4-7/h3-4H,5H2,1-2H3,(H,9,10)(H,11,12,13).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-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-4-sulfonamide is sourced from PubChem (CID 64511314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).