3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine

C7H11N3S — CID 89233344

IUPAC3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine
SMILESCCc1nnc2n1CCSC2
InChIInChI=1S/C7H11N3S/c1-2-6-8-9-7-5-11-4-3-10(6)7/h2-5H2,1H3
InChIKeySNICOMGJERIRHD-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.09
Rot. Bonds1

About 3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine

3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine (PubChem CID 89233344) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine.

Molecular Properties

Compound Name3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine
PubChem CID89233344
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine
SMILESCCc1nnc2n1CCSC2
InChIInChI=1S/C7H11N3S/c1-2-6-8-9-7-5-11-4-3-10(6)7/h2-5H2,1H3
InChIKeySNICOMGJERIRHD-UHFFFAOYSA-N
XLogP1.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine?
The IUPAC name of 3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine (CID 89233344) is 3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine.
What is the SMILES notation for 3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine?
The canonical SMILES for 3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine is CCc1nnc2n1CCSC2.
What is the InChIKey of 3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine?
The InChIKey is SNICOMGJERIRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-2-6-8-9-7-5-11-4-3-10(6)7/h2-5H2,1H3.
What are the key properties of 3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine?
3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine has a molecular weight of 169.25 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine is sourced from PubChem (CID 89233344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).