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

C7H10N6O2S — CID 47291822

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCn1cnnc1CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C7H10N6O2S/c1-13-5-10-12-7(13)4-11-16(14,15)6-2-8-9-3-6/h2-3,5,11H,4H2,1H3,(H,8,9)
InChIKeyGNPADVRDQBIUQY-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.98
Rot. Bonds4

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

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 47291822) has the molecular formula C7H10N6O2S and a molecular weight of 242.26 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID47291822
Molecular FormulaC7H10N6O2S
Molecular Weight242.26 g/mol
Exact Mass242.06
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCn1cnnc1CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C7H10N6O2S/c1-13-5-10-12-7(13)4-11-16(14,15)6-2-8-9-3-6/h2-3,5,11H,4H2,1H3,(H,8,9)
InChIKeyGNPADVRDQBIUQY-UHFFFAOYSA-N
XLogP-0.98
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 47291822) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide is Cn1cnnc1CNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is GNPADVRDQBIUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O2S/c1-13-5-10-12-7(13)4-11-16(14,15)6-2-8-9-3-6/h2-3,5,11H,4H2,1H3,(H,8,9).
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 242.26 g/mol, XLogP of -0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47291822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).