2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one

C11H11N5O2S — CID 46259727

IUPAC2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one
SMILESCCc1nnc(N2C(=O)Nc3ccccc3N2O)s1
InChIInChI=1S/C11H11N5O2S/c1-2-9-13-14-11(19-9)15-10(17)12-7-5-3-4-6-8(7)16(15)18/h3-6,18H,2H2,1H3,(H,12,17)
InChIKeyBONUMKMEIMSZBA-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.26
Rot. Bonds2

About 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one

2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one (PubChem CID 46259727) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one.

Molecular Properties

Compound Name2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one
PubChem CID46259727
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC Name2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one
SMILESCCc1nnc(N2C(=O)Nc3ccccc3N2O)s1
InChIInChI=1S/C11H11N5O2S/c1-2-9-13-14-11(19-9)15-10(17)12-7-5-3-4-6-8(7)16(15)18/h3-6,18H,2H2,1H3,(H,12,17)
InChIKeyBONUMKMEIMSZBA-UHFFFAOYSA-N
XLogP2.26
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one?
The IUPAC name of 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one (CID 46259727) is 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one.
What is the SMILES notation for 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one?
The canonical SMILES for 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one is CCc1nnc(N2C(=O)Nc3ccccc3N2O)s1.
What is the InChIKey of 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one?
The InChIKey is BONUMKMEIMSZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c1-2-9-13-14-11(19-9)15-10(17)12-7-5-3-4-6-8(7)16(15)18/h3-6,18H,2H2,1H3,(H,12,17).
What are the key properties of 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one?
2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one has a molecular weight of 277.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one is sourced from PubChem (CID 46259727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).