3-(2-cyclopropyl-1,8-naphthyridin-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C21H16N6S — CID 71606702

IUPAC3-(2-cyclopropyl-1,8-naphthyridin-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESc1ccc(C2=Nn3c(nnc3-c3cc4cccnc4nc3C3CC3)SC2)cc1
InChIInChI=1S/C21H16N6S/c1-2-5-13(6-3-1)17-12-28-21-25-24-20(27(21)26-17)16-11-15-7-4-10-22-19(15)23-18(16)14-8-9-14/h1-7,10-11,14H,8-9,12H2
InChIKeyYHCQDWCLVTTYHS-UHFFFAOYSA-N
MW384.47 g/mol
LogP4.12
Rot. Bonds3

About 3-(2-cyclopropyl-1,8-naphthyridin-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

3-(2-cyclopropyl-1,8-naphthyridin-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 71606702) has the molecular formula C21H16N6S and a molecular weight of 384.47 g/mol. Its IUPAC name is 3-(2-cyclopropyl-1,8-naphthyridin-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name3-(2-cyclopropyl-1,8-naphthyridin-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID71606702
Molecular FormulaC21H16N6S
Molecular Weight384.47 g/mol
Exact Mass384.12
IUPAC Name3-(2-cyclopropyl-1,8-naphthyridin-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESc1ccc(C2=Nn3c(nnc3-c3cc4cccnc4nc3C3CC3)SC2)cc1
InChIInChI=1S/C21H16N6S/c1-2-5-13(6-3-1)17-12-28-21-25-24-20(27(21)26-17)16-11-15-7-4-10-22-19(15)23-18(16)14-8-9-14/h1-7,10-11,14H,8-9,12H2
InChIKeyYHCQDWCLVTTYHS-UHFFFAOYSA-N
XLogP4.12
TPSA68.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-{2-[({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)amino]ethyl}-1,3,4-thiadiazol-2-amine
CID 11225497
5-[1-({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 11540975
(1S,5R)-3-[3-[[4-methyl-5-(6-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
CID 11477018
(1S,5R)-3-[3-[[4-methyl-5-(2-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
CID 11751828
6-phenyl-3-(4-pyridinyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 662914
({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)[2-(1H-1,2,4-triazol-3-yl)ethyl]amine
CID 24971387
[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)amine
CID 24971392
3-[(3-Fluorophenyl)methylsulfanyl]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7532081
3-[(4-Fluorophenyl)methylthio]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7532083
3-((Pyridin-2-ylmethyl)thio)-6-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194852
3-((Pyridin-3-ylmethyl)thio)-6-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194854
5-[({Imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 17437959

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-1,8-naphthyridin-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 3-(2-cyclopropyl-1,8-naphthyridin-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 71606702) is 3-(2-cyclopropyl-1,8-naphthyridin-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 3-(2-cyclopropyl-1,8-naphthyridin-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 3-(2-cyclopropyl-1,8-naphthyridin-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is c1ccc(C2=Nn3c(nnc3-c3cc4cccnc4nc3C3CC3)SC2)cc1.
What is the InChIKey of 3-(2-cyclopropyl-1,8-naphthyridin-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is YHCQDWCLVTTYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6S/c1-2-5-13(6-3-1)17-12-28-21-25-24-20(27(21)26-17)16-11-15-7-4-10-22-19(15)23-18(16)14-8-9-14/h1-7,10-11,14H,8-9,12H2.
What are the key properties of 3-(2-cyclopropyl-1,8-naphthyridin-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
3-(2-cyclopropyl-1,8-naphthyridin-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 384.47 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-1,8-naphthyridin-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 71606702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).