N-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,4-dimethylpyrazole-5-sulfonamide

C11H16N6O2S — CID 146077181

IUPACN-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,4-dimethylpyrazole-5-sulfonamide
SMILESCc1cnn(C)c1S(=O)(=O)Nc1nc(C2CC2)nn1C
InChIInChI=1S/C11H16N6O2S/c1-7-6-12-16(2)10(7)20(18,19)15-11-13-9(8-4-5-8)14-17(11)3/h6,8H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyVBTWZZPKSFMXSI-UHFFFAOYSA-N
MW296.36 g/mol
LogP0.54
Rot. Bonds4

About N-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,4-dimethylpyrazole-5-sulfonamide

N-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,4-dimethylpyrazole-5-sulfonamide (PubChem CID 146077181) has the molecular formula C11H16N6O2S and a molecular weight of 296.36 g/mol. Its IUPAC name is N-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,4-dimethylpyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,4-dimethylpyrazole-5-sulfonamide
PubChem CID146077181
Molecular FormulaC11H16N6O2S
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC NameN-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,4-dimethylpyrazole-5-sulfonamide
SMILESCc1cnn(C)c1S(=O)(=O)Nc1nc(C2CC2)nn1C
InChIInChI=1S/C11H16N6O2S/c1-7-6-12-16(2)10(7)20(18,19)15-11-13-9(8-4-5-8)14-17(11)3/h6,8H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyVBTWZZPKSFMXSI-UHFFFAOYSA-N
XLogP0.54
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,4-dimethylpyrazole-5-sulfonamide?
The IUPAC name of N-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,4-dimethylpyrazole-5-sulfonamide (CID 146077181) is N-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,4-dimethylpyrazole-5-sulfonamide.
What is the SMILES notation for N-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,4-dimethylpyrazole-5-sulfonamide?
The canonical SMILES for N-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,4-dimethylpyrazole-5-sulfonamide is Cc1cnn(C)c1S(=O)(=O)Nc1nc(C2CC2)nn1C.
What is the InChIKey of N-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,4-dimethylpyrazole-5-sulfonamide?
The InChIKey is VBTWZZPKSFMXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2S/c1-7-6-12-16(2)10(7)20(18,19)15-11-13-9(8-4-5-8)14-17(11)3/h6,8H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of N-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,4-dimethylpyrazole-5-sulfonamide?
N-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,4-dimethylpyrazole-5-sulfonamide has a molecular weight of 296.36 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,4-dimethylpyrazole-5-sulfonamide is sourced from PubChem (CID 146077181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).