2-methoxy-3-methyl-N-[5-(2-methylpyrazol-3-yl)-2H-triazol-4-yl]butane-1-sulfonamide

C12H20N6O3S — CID 167914077

IUPAC2-methoxy-3-methyl-N-[5-(2-methylpyrazol-3-yl)-2H-triazol-4-yl]butane-1-sulfonamide
SMILESCOC(CS(=O)(=O)Nc1n[nH]nc1-c1ccnn1C)C(C)C
InChIInChI=1S/C12H20N6O3S/c1-8(2)10(21-4)7-22(19,20)16-12-11(14-17-15-12)9-5-6-13-18(9)3/h5-6,8,10H,7H2,1-4H3,(H2,14,15,16,17)
InChIKeyNZDJLSZFWQWCKV-UHFFFAOYSA-N
MW328.40 g/mol
LogP0.62
Rot. Bonds7

About 2-methoxy-3-methyl-N-[5-(2-methylpyrazol-3-yl)-2H-triazol-4-yl]butane-1-sulfonamide

2-methoxy-3-methyl-N-[5-(2-methylpyrazol-3-yl)-2H-triazol-4-yl]butane-1-sulfonamide (PubChem CID 167914077) has the molecular formula C12H20N6O3S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-methoxy-3-methyl-N-[5-(2-methylpyrazol-3-yl)-2H-triazol-4-yl]butane-1-sulfonamide.

Molecular Properties

Compound Name2-methoxy-3-methyl-N-[5-(2-methylpyrazol-3-yl)-2H-triazol-4-yl]butane-1-sulfonamide
PubChem CID167914077
Molecular FormulaC12H20N6O3S
Molecular Weight328.40 g/mol
Exact Mass328.13
IUPAC Name2-methoxy-3-methyl-N-[5-(2-methylpyrazol-3-yl)-2H-triazol-4-yl]butane-1-sulfonamide
SMILESCOC(CS(=O)(=O)Nc1n[nH]nc1-c1ccnn1C)C(C)C
InChIInChI=1S/C12H20N6O3S/c1-8(2)10(21-4)7-22(19,20)16-12-11(14-17-15-12)9-5-6-13-18(9)3/h5-6,8,10H,7H2,1-4H3,(H2,14,15,16,17)
InChIKeyNZDJLSZFWQWCKV-UHFFFAOYSA-N
XLogP0.62
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-N-[5-(2-methylpyrazol-3-yl)-2H-triazol-4-yl]butane-1-sulfonamide?
The IUPAC name of 2-methoxy-3-methyl-N-[5-(2-methylpyrazol-3-yl)-2H-triazol-4-yl]butane-1-sulfonamide (CID 167914077) is 2-methoxy-3-methyl-N-[5-(2-methylpyrazol-3-yl)-2H-triazol-4-yl]butane-1-sulfonamide.
What is the SMILES notation for 2-methoxy-3-methyl-N-[5-(2-methylpyrazol-3-yl)-2H-triazol-4-yl]butane-1-sulfonamide?
The canonical SMILES for 2-methoxy-3-methyl-N-[5-(2-methylpyrazol-3-yl)-2H-triazol-4-yl]butane-1-sulfonamide is COC(CS(=O)(=O)Nc1n[nH]nc1-c1ccnn1C)C(C)C.
What is the InChIKey of 2-methoxy-3-methyl-N-[5-(2-methylpyrazol-3-yl)-2H-triazol-4-yl]butane-1-sulfonamide?
The InChIKey is NZDJLSZFWQWCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O3S/c1-8(2)10(21-4)7-22(19,20)16-12-11(14-17-15-12)9-5-6-13-18(9)3/h5-6,8,10H,7H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-methoxy-3-methyl-N-[5-(2-methylpyrazol-3-yl)-2H-triazol-4-yl]butane-1-sulfonamide?
2-methoxy-3-methyl-N-[5-(2-methylpyrazol-3-yl)-2H-triazol-4-yl]butane-1-sulfonamide has a molecular weight of 328.40 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-N-[5-(2-methylpyrazol-3-yl)-2H-triazol-4-yl]butane-1-sulfonamide is sourced from PubChem (CID 167914077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).