1H-1,2,4-triazol-5-yl-(2,4,6-trimethylphenyl)sulfonylazanide

C11H13N4O2S- — CID 135964048

IUPAC1H-1,2,4-triazol-5-yl-(2,4,6-trimethylphenyl)sulfonylazanide
SMILESCc1cc(C)c(S(=O)(=O)[N-]c2ncn[nH]2)c(C)c1
InChIInChI=1S/C11H13N4O2S/c1-7-4-8(2)10(9(3)5-7)18(16,17)15-11-12-6-13-14-11/h4-6H,1-3H3,(H-,12,13,14,15)/q-1
InChIKeyQSIDBKHMQDVCNJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.12
Rot. Bonds3

About 1H-1,2,4-triazol-5-yl-(2,4,6-trimethylphenyl)sulfonylazanide

1H-1,2,4-triazol-5-yl-(2,4,6-trimethylphenyl)sulfonylazanide (PubChem CID 135964048) has the molecular formula C11H13N4O2S- and a molecular weight of 265.32 g/mol. Its IUPAC name is 1H-1,2,4-triazol-5-yl-(2,4,6-trimethylphenyl)sulfonylazanide.

Molecular Properties

Compound Name1H-1,2,4-triazol-5-yl-(2,4,6-trimethylphenyl)sulfonylazanide
PubChem CID135964048
Molecular FormulaC11H13N4O2S-
Molecular Weight265.32 g/mol
Exact Mass265.08
IUPAC Name1H-1,2,4-triazol-5-yl-(2,4,6-trimethylphenyl)sulfonylazanide
SMILESCc1cc(C)c(S(=O)(=O)[N-]c2ncn[nH]2)c(C)c1
InChIInChI=1S/C11H13N4O2S/c1-7-4-8(2)10(9(3)5-7)18(16,17)15-11-12-6-13-14-11/h4-6H,1-3H3,(H-,12,13,14,15)/q-1
InChIKeyQSIDBKHMQDVCNJ-UHFFFAOYSA-N
XLogP2.12
TPSA89.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-1,2,4-triazol-5-yl-(2,4,6-trimethylphenyl)sulfonylazanide?
The IUPAC name of 1H-1,2,4-triazol-5-yl-(2,4,6-trimethylphenyl)sulfonylazanide (CID 135964048) is 1H-1,2,4-triazol-5-yl-(2,4,6-trimethylphenyl)sulfonylazanide.
What is the SMILES notation for 1H-1,2,4-triazol-5-yl-(2,4,6-trimethylphenyl)sulfonylazanide?
The canonical SMILES for 1H-1,2,4-triazol-5-yl-(2,4,6-trimethylphenyl)sulfonylazanide is Cc1cc(C)c(S(=O)(=O)[N-]c2ncn[nH]2)c(C)c1.
What is the InChIKey of 1H-1,2,4-triazol-5-yl-(2,4,6-trimethylphenyl)sulfonylazanide?
The InChIKey is QSIDBKHMQDVCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N4O2S/c1-7-4-8(2)10(9(3)5-7)18(16,17)15-11-12-6-13-14-11/h4-6H,1-3H3,(H-,12,13,14,15)/q-1.
What are the key properties of 1H-1,2,4-triazol-5-yl-(2,4,6-trimethylphenyl)sulfonylazanide?
1H-1,2,4-triazol-5-yl-(2,4,6-trimethylphenyl)sulfonylazanide has a molecular weight of 265.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,2,4-triazol-5-yl-(2,4,6-trimethylphenyl)sulfonylazanide is sourced from PubChem (CID 135964048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).