4-tert-butyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazole-3-sulfonamide

C10H16N6O2S — CID 113366368

IUPAC4-tert-butyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazole-3-sulfonamide
SMILESCc1[nH]ncc1-c1nnc(S(N)(=O)=O)n1C(C)(C)C
InChIInChI=1S/C10H16N6O2S/c1-6-7(5-12-13-6)8-14-15-9(19(11,17)18)16(8)10(2,3)4/h5H,1-4H3,(H,12,13)(H2,11,17,18)
InChIKeyQLIQKMFIVIZTOP-UHFFFAOYSA-N
MW284.35 g/mol
LogP0.38
Rot. Bonds2

About 4-tert-butyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazole-3-sulfonamide

4-tert-butyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazole-3-sulfonamide (PubChem CID 113366368) has the molecular formula C10H16N6O2S and a molecular weight of 284.35 g/mol. Its IUPAC name is 4-tert-butyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name4-tert-butyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazole-3-sulfonamide
PubChem CID113366368
Molecular FormulaC10H16N6O2S
Molecular Weight284.35 g/mol
Exact Mass284.11
IUPAC Name4-tert-butyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazole-3-sulfonamide
SMILESCc1[nH]ncc1-c1nnc(S(N)(=O)=O)n1C(C)(C)C
InChIInChI=1S/C10H16N6O2S/c1-6-7(5-12-13-6)8-14-15-9(19(11,17)18)16(8)10(2,3)4/h5H,1-4H3,(H,12,13)(H2,11,17,18)
InChIKeyQLIQKMFIVIZTOP-UHFFFAOYSA-N
XLogP0.38
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-triazole-3-sulfonamide
CID 104673283
4-tert-butyl-5-(3-chloro-4-pyridinyl)-1,2,4-triazole-3-sulfonamide
CID 113366365
4-tert-butyl-5-(3-methoxy-4-pyridinyl)-1,2,4-triazole-3-sulfonamide
CID 105064809
4-tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazole-3-sulfonamide
CID 103167679
N,4-diethyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-amine
CID 112596888
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 103931269
5-methyl-4-(1H-pyrazol-5-yl)-1H-pyrazole
CID 130918479
4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole
CID 139474826
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane
CID 54929965
2-methyl-5-(5-methyl-1H-pyrazol-4-yl)tetrazole
CID 135994965
N-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60959234
N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60960308

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 4-tert-butyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazole-3-sulfonamide (CID 113366368) is 4-tert-butyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 4-tert-butyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 4-tert-butyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazole-3-sulfonamide is Cc1[nH]ncc1-c1nnc(S(N)(=O)=O)n1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazole-3-sulfonamide?
The InChIKey is QLIQKMFIVIZTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S/c1-6-7(5-12-13-6)8-14-15-9(19(11,17)18)16(8)10(2,3)4/h5H,1-4H3,(H,12,13)(H2,11,17,18).
What are the key properties of 4-tert-butyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazole-3-sulfonamide?
4-tert-butyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazole-3-sulfonamide has a molecular weight of 284.35 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 113366368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).