(5E)-5-(benzenesulfonylmethylidene)-2H-1,2,4-triazine

C10H9N3O2S — CID 134891737

IUPAC(5E)-5-(benzenesulfonylmethylidene)-2H-1,2,4-triazine
SMILESO=S(=O)(/C=C1\C=NNC=N1)c1ccccc1
InChIInChI=1S/C10H9N3O2S/c14-16(15,10-4-2-1-3-5-10)7-9-6-12-13-8-11-9/h1-8H,(H,11,13)/b9-7+
InChIKeyNLXWILJTHBLZRF-VQHVLOKHSA-N
MW235.27 g/mol
LogP0.92
Rot. Bonds2

About (5E)-5-(benzenesulfonylmethylidene)-2H-1,2,4-triazine

(5E)-5-(benzenesulfonylmethylidene)-2H-1,2,4-triazine (PubChem CID 134891737) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is (5E)-5-(benzenesulfonylmethylidene)-2H-1,2,4-triazine.

Molecular Properties

Compound Name(5E)-5-(benzenesulfonylmethylidene)-2H-1,2,4-triazine
PubChem CID134891737
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name(5E)-5-(benzenesulfonylmethylidene)-2H-1,2,4-triazine
SMILESO=S(=O)(/C=C1\C=NNC=N1)c1ccccc1
InChIInChI=1S/C10H9N3O2S/c14-16(15,10-4-2-1-3-5-10)7-9-6-12-13-8-11-9/h1-8H,(H,11,13)/b9-7+
InChIKeyNLXWILJTHBLZRF-VQHVLOKHSA-N
XLogP0.92
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzenesulfonylmethylidene)-2H-1,2,4-triazine
CID 71416283
4-(benzenesulfonylmethylidene)cyclohexa-2,5-dien-1-one
CID 131848252
2-(benzenesulfonylmethylidene)-1,3-dihydrobenzimidazole
CID 70620284
(113C)ethenylsulfonylbenzene
CID 66995821
2-(benzenesulfonyl)ethenimine
CID 15530554
(1R,3R,5S,7R,8S,9S,10S,11S)-6-(benzenesulfonylmethylidene)pentacyclo[5.4.1.03,10.05,9.08,11]dodecan-2-one
CID 99959638
sodium 2-[4-(benzenesulfonylmethylidene)-1-pyridinyl]propanedinitrile
CID 10018832
benzene;benzenesulfonyl chloride
CID 87647314
(E)-1-(benzenesulfonyl)prop-1-en-2-ol
CID 118410381
2-(benzenesulfonyl)ethene-1,1-diamine
CID 21311523
[(E)-2-(benzenesulfonyl)ethenyl]benzene
CID 736143
1-[(E)-2-(benzenesulfonyl)ethenyl]cyclohexan-1-ol
CID 14785612

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(benzenesulfonylmethylidene)-2H-1,2,4-triazine?
The IUPAC name of (5E)-5-(benzenesulfonylmethylidene)-2H-1,2,4-triazine (CID 134891737) is (5E)-5-(benzenesulfonylmethylidene)-2H-1,2,4-triazine.
What is the SMILES notation for (5E)-5-(benzenesulfonylmethylidene)-2H-1,2,4-triazine?
The canonical SMILES for (5E)-5-(benzenesulfonylmethylidene)-2H-1,2,4-triazine is O=S(=O)(/C=C1\C=NNC=N1)c1ccccc1.
What is the InChIKey of (5E)-5-(benzenesulfonylmethylidene)-2H-1,2,4-triazine?
The InChIKey is NLXWILJTHBLZRF-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-16(15,10-4-2-1-3-5-10)7-9-6-12-13-8-11-9/h1-8H,(H,11,13)/b9-7+.
What are the key properties of (5E)-5-(benzenesulfonylmethylidene)-2H-1,2,4-triazine?
(5E)-5-(benzenesulfonylmethylidene)-2H-1,2,4-triazine has a molecular weight of 235.27 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(benzenesulfonylmethylidene)-2H-1,2,4-triazine is sourced from PubChem (CID 134891737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).