3-methoxy-5-thiophen-2-yl-1,2,4-triazine

C8H7N3OS — CID 3053053

IUPAC3-methoxy-5-thiophen-2-yl-1,2,4-triazine
SMILESCOc1nncc(-c2cccs2)n1
InChIInChI=1S/C8H7N3OS/c1-12-8-10-6(5-9-11-8)7-3-2-4-13-7/h2-5H,1H3
InChIKeyLKQDEJAUWKNZLA-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.61
Rot. Bonds2

About 3-methoxy-5-thiophen-2-yl-1,2,4-triazine

3-methoxy-5-thiophen-2-yl-1,2,4-triazine (PubChem CID 3053053) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 3-methoxy-5-thiophen-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name3-methoxy-5-thiophen-2-yl-1,2,4-triazine
PubChem CID3053053
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name3-methoxy-5-thiophen-2-yl-1,2,4-triazine
SMILESCOc1nncc(-c2cccs2)n1
InChIInChI=1S/C8H7N3OS/c1-12-8-10-6(5-9-11-8)7-3-2-4-13-7/h2-5H,1H3
InChIKeyLKQDEJAUWKNZLA-UHFFFAOYSA-N
XLogP1.61
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-Dimethyl-6-thiophen-2-ylimidazo[1,2-b][1,2,4]triazine
CID 615484
as-Triazine, 3-(methylthio)-5-(2-thienyl)-
CID 3053020
5-(5-Chlorothiophen-2-yl)-1,2,4-triazin-3-amine
CID 43439221
3-Fluoro-5-thiophen-2-yl-1,2,4-triazine
CID 177851256
3-Thiophen-2-yl-1,2,4-triazine
CID 19983588
[1,2,3,4]Tetrazolo[1,5-b][1,2,4]triazine, 7-(3-thienyl)-
CID 5305172
3,6-Dithiophen-2-yl-1,2,4-triazine
CID 12351659
3-Chloro-5-thiophen-2-yl-1,2,4-triazine
CID 82469277
3-Pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazine
CID 86042939
6-Methyl-3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazine
CID 177851218
2-Thiophenecarbaldehyde (5-phenyl-1,2,4-triazin-3-yl)hydrazone
CID 9566987
2-[(5-Thiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]acetonitrile
CID 17424131

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-thiophen-2-yl-1,2,4-triazine?
The IUPAC name of 3-methoxy-5-thiophen-2-yl-1,2,4-triazine (CID 3053053) is 3-methoxy-5-thiophen-2-yl-1,2,4-triazine.
What is the SMILES notation for 3-methoxy-5-thiophen-2-yl-1,2,4-triazine?
The canonical SMILES for 3-methoxy-5-thiophen-2-yl-1,2,4-triazine is COc1nncc(-c2cccs2)n1.
What is the InChIKey of 3-methoxy-5-thiophen-2-yl-1,2,4-triazine?
The InChIKey is LKQDEJAUWKNZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c1-12-8-10-6(5-9-11-8)7-3-2-4-13-7/h2-5H,1H3.
What are the key properties of 3-methoxy-5-thiophen-2-yl-1,2,4-triazine?
3-methoxy-5-thiophen-2-yl-1,2,4-triazine has a molecular weight of 193.23 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-thiophen-2-yl-1,2,4-triazine is sourced from PubChem (CID 3053053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).