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

C8H13N3S — CID 58783687

IUPAC3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine
SMILESCC(C)c1nnc2n1CCSC2
InChIInChI=1S/C8H13N3S/c1-6(2)8-10-9-7-5-12-4-3-11(7)8/h6H,3-5H2,1-2H3
InChIKeyNMFPYPJQCDWTMP-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.65
Rot. Bonds1

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

3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine (PubChem CID 58783687) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine.

Molecular Properties

Compound Name3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine
PubChem CID58783687
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine
SMILESCC(C)c1nnc2n1CCSC2
InChIInChI=1S/C8H13N3S/c1-6(2)8-10-9-7-5-12-4-3-11(7)8/h6H,3-5H2,1-2H3
InChIKeyNMFPYPJQCDWTMP-UHFFFAOYSA-N
XLogP1.65
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine?
The IUPAC name of 3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine (CID 58783687) is 3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine.
What is the SMILES notation for 3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine?
The canonical SMILES for 3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine is CC(C)c1nnc2n1CCSC2.
What is the InChIKey of 3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine?
The InChIKey is NMFPYPJQCDWTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-6(2)8-10-9-7-5-12-4-3-11(7)8/h6H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine?
3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine has a molecular weight of 183.28 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine is sourced from PubChem (CID 58783687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).