3-pyridin-4-yl-6-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C13H9N5S2 — CID 3646030

IUPAC3-pyridin-4-yl-6-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESc1csc(C2=Nn3c(nnc3-c3ccncc3)SC2)c1
InChIInChI=1S/C13H9N5S2/c1-2-11(19-7-1)10-8-20-13-16-15-12(18(13)17-10)9-3-5-14-6-4-9/h1-7H,8H2
InChIKeyVVZZLWGMXQRMPX-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.76
Rot. Bonds2

About 3-pyridin-4-yl-6-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

3-pyridin-4-yl-6-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 3646030) has the molecular formula C13H9N5S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 3-pyridin-4-yl-6-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name3-pyridin-4-yl-6-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID3646030
Molecular FormulaC13H9N5S2
Molecular Weight299.38 g/mol
Exact Mass299.03
IUPAC Name3-pyridin-4-yl-6-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESc1csc(C2=Nn3c(nnc3-c3ccncc3)SC2)c1
InChIInChI=1S/C13H9N5S2/c1-2-11(19-7-1)10-8-20-13-16-15-12(18(13)17-10)9-3-5-14-6-4-9/h1-7H,8H2
InChIKeyVVZZLWGMXQRMPX-UHFFFAOYSA-N
XLogP2.76
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-6-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 3-pyridin-4-yl-6-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 3646030) is 3-pyridin-4-yl-6-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 3-pyridin-4-yl-6-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 3-pyridin-4-yl-6-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is c1csc(C2=Nn3c(nnc3-c3ccncc3)SC2)c1.
What is the InChIKey of 3-pyridin-4-yl-6-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is VVZZLWGMXQRMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5S2/c1-2-11(19-7-1)10-8-20-13-16-15-12(18(13)17-10)9-3-5-14-6-4-9/h1-7H,8H2.
What are the key properties of 3-pyridin-4-yl-6-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
3-pyridin-4-yl-6-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 299.38 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-6-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 3646030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).