3,6-dichloro-5-(thiophen-2-ylmethoxy)-1,2,4-triazine

C8H5Cl2N3OS — CID 81036270

IUPAC3,6-dichloro-5-(thiophen-2-ylmethoxy)-1,2,4-triazine
SMILESClc1nnc(Cl)c(OCc2cccs2)n1
InChIInChI=1S/C8H5Cl2N3OS/c9-6-7(11-8(10)13-12-6)14-4-5-2-1-3-15-5/h1-3H,4H2
InChIKeyNTFMIJSZCUBBDB-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.82
Rot. Bonds3

About 3,6-dichloro-5-(thiophen-2-ylmethoxy)-1,2,4-triazine

3,6-dichloro-5-(thiophen-2-ylmethoxy)-1,2,4-triazine (PubChem CID 81036270) has the molecular formula C8H5Cl2N3OS and a molecular weight of 262.12 g/mol. Its IUPAC name is 3,6-dichloro-5-(thiophen-2-ylmethoxy)-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-(thiophen-2-ylmethoxy)-1,2,4-triazine
PubChem CID81036270
Molecular FormulaC8H5Cl2N3OS
Molecular Weight262.12 g/mol
Exact Mass260.95
IUPAC Name3,6-dichloro-5-(thiophen-2-ylmethoxy)-1,2,4-triazine
SMILESClc1nnc(Cl)c(OCc2cccs2)n1
InChIInChI=1S/C8H5Cl2N3OS/c9-6-7(11-8(10)13-12-6)14-4-5-2-1-3-15-5/h1-3H,4H2
InChIKeyNTFMIJSZCUBBDB-UHFFFAOYSA-N
XLogP2.82
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-chloro-4-(thiophen-2-ylmethoxy)phthalazine
CID 55041274
3,6-dichloro-N-(2-thiophen-2-ylethyl)-1,2,4-triazin-5-amine
CID 81036300
5-chloro-4-(thiophen-2-ylmethoxy)pyrimidin-2-amine
CID 80872356
[3,5-dichloro-6-(thiophen-2-ylmethoxy)-2-pyridinyl]hydrazine
CID 102762979
[3-(thiophen-2-ylmethoxy)pyrazin-2-yl]methanamine
CID 62684174
3-chloro-5-(2-thiophen-2-ylethoxy)-1,2,4-triazine
CID 115001002
2-[(2-methoxyphenoxy)methyl]thiophene
CID 174917989
2-chloro-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridine
CID 102715246
3-bromo-5-methyl-2-(thiophen-2-ylmethoxy)pyridine
CID 105368297
[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]methanol
CID 105383359
5-methyl-6-(thiophen-2-ylmethoxy)pyridin-3-amine
CID 62475410
5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazine-4-carbothioamide
CID 54966765

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-(thiophen-2-ylmethoxy)-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-(thiophen-2-ylmethoxy)-1,2,4-triazine (CID 81036270) is 3,6-dichloro-5-(thiophen-2-ylmethoxy)-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-(thiophen-2-ylmethoxy)-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-(thiophen-2-ylmethoxy)-1,2,4-triazine is Clc1nnc(Cl)c(OCc2cccs2)n1.
What is the InChIKey of 3,6-dichloro-5-(thiophen-2-ylmethoxy)-1,2,4-triazine?
The InChIKey is NTFMIJSZCUBBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N3OS/c9-6-7(11-8(10)13-12-6)14-4-5-2-1-3-15-5/h1-3H,4H2.
What are the key properties of 3,6-dichloro-5-(thiophen-2-ylmethoxy)-1,2,4-triazine?
3,6-dichloro-5-(thiophen-2-ylmethoxy)-1,2,4-triazine has a molecular weight of 262.12 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-(thiophen-2-ylmethoxy)-1,2,4-triazine is sourced from PubChem (CID 81036270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).