3-chloro-5-(2-thiophen-2-ylethoxy)-1,2,4-triazine

C9H8ClN3OS — CID 115001002

IUPAC3-chloro-5-(2-thiophen-2-ylethoxy)-1,2,4-triazine
SMILESClc1nncc(OCCc2cccs2)n1
InChIInChI=1S/C9H8ClN3OS/c10-9-12-8(6-11-13-9)14-4-3-7-2-1-5-15-7/h1-2,5-6H,3-4H2
InChIKeyBMXPIFOHOLIMHO-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.21
Rot. Bonds4

About 3-chloro-5-(2-thiophen-2-ylethoxy)-1,2,4-triazine

3-chloro-5-(2-thiophen-2-ylethoxy)-1,2,4-triazine (PubChem CID 115001002) has the molecular formula C9H8ClN3OS and a molecular weight of 241.70 g/mol. Its IUPAC name is 3-chloro-5-(2-thiophen-2-ylethoxy)-1,2,4-triazine.

Molecular Properties

Compound Name3-chloro-5-(2-thiophen-2-ylethoxy)-1,2,4-triazine
PubChem CID115001002
Molecular FormulaC9H8ClN3OS
Molecular Weight241.70 g/mol
Exact Mass241.01
IUPAC Name3-chloro-5-(2-thiophen-2-ylethoxy)-1,2,4-triazine
SMILESClc1nncc(OCCc2cccs2)n1
InChIInChI=1S/C9H8ClN3OS/c10-9-12-8(6-11-13-9)14-4-3-7-2-1-5-15-7/h1-2,5-6H,3-4H2
InChIKeyBMXPIFOHOLIMHO-UHFFFAOYSA-N
XLogP2.21
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-thiophen-2-ylethoxy)-1,2,4-triazine?
The IUPAC name of 3-chloro-5-(2-thiophen-2-ylethoxy)-1,2,4-triazine (CID 115001002) is 3-chloro-5-(2-thiophen-2-ylethoxy)-1,2,4-triazine.
What is the SMILES notation for 3-chloro-5-(2-thiophen-2-ylethoxy)-1,2,4-triazine?
The canonical SMILES for 3-chloro-5-(2-thiophen-2-ylethoxy)-1,2,4-triazine is Clc1nncc(OCCc2cccs2)n1.
What is the InChIKey of 3-chloro-5-(2-thiophen-2-ylethoxy)-1,2,4-triazine?
The InChIKey is BMXPIFOHOLIMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3OS/c10-9-12-8(6-11-13-9)14-4-3-7-2-1-5-15-7/h1-2,5-6H,3-4H2.
What are the key properties of 3-chloro-5-(2-thiophen-2-ylethoxy)-1,2,4-triazine?
3-chloro-5-(2-thiophen-2-ylethoxy)-1,2,4-triazine has a molecular weight of 241.70 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-thiophen-2-ylethoxy)-1,2,4-triazine is sourced from PubChem (CID 115001002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).