N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide

C7H10N6O2S — CID 102693084

IUPACN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H10N6O2S/c1-13(4-6-8-5-10-11-6)16(14,15)7-2-3-9-12-7/h2-3,5H,4H2,1H3,(H,9,12)(H,8,10,11)
InChIKeyPXOAMXMYPQCQRE-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.65
Rot. Bonds4

About N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide

N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102693084) has the molecular formula C7H10N6O2S and a molecular weight of 242.26 g/mol. Its IUPAC name is N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide
PubChem CID102693084
Molecular FormulaC7H10N6O2S
Molecular Weight242.26 g/mol
Exact Mass242.06
IUPAC NameN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H10N6O2S/c1-13(4-6-8-5-10-11-6)16(14,15)7-2-3-9-12-7/h2-3,5H,4H2,1H3,(H,9,12)(H,8,10,11)
InChIKeyPXOAMXMYPQCQRE-UHFFFAOYSA-N
XLogP-0.65
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide (CID 102693084) is N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide is CN(Cc1ncn[nH]1)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is PXOAMXMYPQCQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O2S/c1-13(4-6-8-5-10-11-6)16(14,15)7-2-3-9-12-7/h2-3,5H,4H2,1H3,(H,9,12)(H,8,10,11).
What are the key properties of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide?
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 242.26 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).