6-(1H-indol-3-yl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C18H15N7S — CID 137167358

IUPAC6-(1H-indol-3-yl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESc1ccc2c(C3=Nn4c(nnc4-c4n[nH]c5c4CCC5)SC3)c[nH]c2c1
InChIInChI=1S/C18H15N7S/c1-2-6-13-10(4-1)12(8-19-13)15-9-26-18-23-22-17(25(18)24-15)16-11-5-3-7-14(11)20-21-16/h1-2,4,6,8,19H,3,5,7,9H2,(H,20,21)
InChIKeyBRCSLXUESJLXGP-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.00
Rot. Bonds2

About 6-(1H-indol-3-yl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-(1H-indol-3-yl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 137167358) has the molecular formula C18H15N7S and a molecular weight of 361.43 g/mol. Its IUPAC name is 6-(1H-indol-3-yl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(1H-indol-3-yl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID137167358
Molecular FormulaC18H15N7S
Molecular Weight361.43 g/mol
Exact Mass361.11
IUPAC Name6-(1H-indol-3-yl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESc1ccc2c(C3=Nn4c(nnc4-c4n[nH]c5c4CCC5)SC3)c[nH]c2c1
InChIInChI=1S/C18H15N7S/c1-2-6-13-10(4-1)12(8-19-13)15-9-26-18-23-22-17(25(18)24-15)16-11-5-3-7-14(11)20-21-16/h1-2,4,6,8,19H,3,5,7,9H2,(H,20,21)
InChIKeyBRCSLXUESJLXGP-UHFFFAOYSA-N
XLogP3.00
TPSA87.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(1H-indol-3-yl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine with MolForge

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Related Compounds

CID 1254192
CID 1254192
CID 44397706
CID 44397706
CID 1256028
CID 1256028
CID 2972613
CID 2972613
CID 3364703
CID 3364703
CID 3613607
CID 3613607
CID 4347275
CID 4347275
CID 4581303
CID 4581303
CID 5065924
CID 5065924
CID 5065928
CID 5065928
CID 5065930
CID 5065930
CID 44397385
CID 44397385

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-3-yl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(1H-indol-3-yl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 137167358) is 6-(1H-indol-3-yl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(1H-indol-3-yl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(1H-indol-3-yl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is c1ccc2c(C3=Nn4c(nnc4-c4n[nH]c5c4CCC5)SC3)c[nH]c2c1.
What is the InChIKey of 6-(1H-indol-3-yl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is BRCSLXUESJLXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7S/c1-2-6-13-10(4-1)12(8-19-13)15-9-26-18-23-22-17(25(18)24-15)16-11-5-3-7-14(11)20-21-16/h1-2,4,6,8,19H,3,5,7,9H2,(H,20,21).
What are the key properties of 6-(1H-indol-3-yl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(1H-indol-3-yl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 361.43 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-3-yl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 137167358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).