3-[2-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

C12H13N5O2S — CID 39397517

IUPAC3-[2-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
SMILESCOc1ccccc1OCCc1nnc2sc(N)nn12
InChIInChI=1S/C12H13N5O2S/c1-18-8-4-2-3-5-9(8)19-7-6-10-14-15-12-17(10)16-11(13)20-12/h2-5H,6-7H2,1H3,(H2,13,16)
InChIKeyHGRXRDPUSQZQII-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.40
Rot. Bonds5

About 3-[2-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

3-[2-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (PubChem CID 39397517) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.

Molecular Properties

Compound Name3-[2-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
PubChem CID39397517
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC Name3-[2-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
SMILESCOc1ccccc1OCCc1nnc2sc(N)nn12
InChIInChI=1S/C12H13N5O2S/c1-18-8-4-2-3-5-9(8)19-7-6-10-14-15-12-17(10)16-11(13)20-12/h2-5H,6-7H2,1H3,(H2,13,16)
InChIKeyHGRXRDPUSQZQII-UHFFFAOYSA-N
XLogP1.40
TPSA87.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[2-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine with MolForge

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Related Compounds

3-[2-(4-ethoxyphenoxy)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 39435547
2-[3-(2-methoxyethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
CID 82048226
5-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-2-amine
CID 113370258
4-[[6-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]morpholine
CID 45493547
3-[(2,5-dimethylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 39374269
3-(aminomethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 82468081
2-[2-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethyl]aniline
CID 82484121
2-(2-methoxyphenoxy)ethyl carbamate
CID 54433856
N-ethyl-N-[[6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine
CID 50944753
2-[2-(2-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carbothioamide
CID 82426928
6-(2-methoxyphenyl)-3-(2-phenylethylsulfanylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 134692920
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The IUPAC name of 3-[2-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (CID 39397517) is 3-[2-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.
What is the SMILES notation for 3-[2-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The canonical SMILES for 3-[2-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine is COc1ccccc1OCCc1nnc2sc(N)nn12.
What is the InChIKey of 3-[2-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The InChIKey is HGRXRDPUSQZQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c1-18-8-4-2-3-5-9(8)19-7-6-10-14-15-12-17(10)16-11(13)20-12/h2-5H,6-7H2,1H3,(H2,13,16).
What are the key properties of 3-[2-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
3-[2-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine has a molecular weight of 291.34 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine is sourced from PubChem (CID 39397517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).