3-(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)naphthalen-2-ol

C20H14N4OS — CID 135506852

IUPAC3-(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)naphthalen-2-ol
SMILESOc1cc2ccccc2cc1-c1nnc2n1N=C(c1ccccc1)CS2
InChIInChI=1S/C20H14N4OS/c25-18-11-15-9-5-4-8-14(15)10-16(18)19-21-22-20-24(19)23-17(12-26-20)13-6-2-1-3-7-13/h1-11,25H,12H2
InChIKeyYTOYZJJCOFCZMT-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.16
Rot. Bonds2

About 3-(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)naphthalen-2-ol

3-(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)naphthalen-2-ol (PubChem CID 135506852) has the molecular formula C20H14N4OS and a molecular weight of 358.43 g/mol. Its IUPAC name is 3-(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)naphthalen-2-ol.

Molecular Properties

Compound Name3-(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)naphthalen-2-ol
PubChem CID135506852
Molecular FormulaC20H14N4OS
Molecular Weight358.43 g/mol
Exact Mass358.09
IUPAC Name3-(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)naphthalen-2-ol
SMILESOc1cc2ccccc2cc1-c1nnc2n1N=C(c1ccccc1)CS2
InChIInChI=1S/C20H14N4OS/c25-18-11-15-9-5-4-8-14(15)10-16(18)19-21-22-20-24(19)23-17(12-26-20)13-6-2-1-3-7-13/h1-11,25H,12H2
InChIKeyYTOYZJJCOFCZMT-UHFFFAOYSA-N
XLogP4.16
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[6-(3-Methoxyphenyl)-2,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-ylidene]-1-cyclohexa-2,4-dienone
CID 3244396
2-[4-Ethyl-5-(3-hydroxy-naphthalen-2-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N,N-diisopropyl-acetamide
CID 649430
N,N-diethyl-2-[[4-ethyl-5-(3-oxo-2-naphthalenylidene)-1H-1,2,4-triazol-3-yl]thio]acetamide
CID 645573
3-[4-methyl-3-(methylthio)-1H-1,2,4-triazol-5-ylidene]-2-naphthalenone
CID 651108
3-(6-Methyl-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-2-naphthol
CID 2974397
4-[3-(3-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol
CID 3663215
3-[1-(6-methoxynaphthalen-2-yl)ethyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 127025439
6-(4-fluorophenyl)-3-[1-(6-methoxynaphthalen-2-yl)ethyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 127025440
3-[1-(6-methoxynaphthalen-2-yl)ethyl]-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 127027617
3-[1-(6-methoxynaphthalen-2-yl)ethyl]-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 127027618
4-[3-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol
CID 866336
4-[3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol
CID 938237

Frequently Asked Questions

What is the IUPAC name of 3-(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)naphthalen-2-ol?
The IUPAC name of 3-(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)naphthalen-2-ol (CID 135506852) is 3-(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)naphthalen-2-ol.
What is the SMILES notation for 3-(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)naphthalen-2-ol?
The canonical SMILES for 3-(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)naphthalen-2-ol is Oc1cc2ccccc2cc1-c1nnc2n1N=C(c1ccccc1)CS2.
What is the InChIKey of 3-(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)naphthalen-2-ol?
The InChIKey is YTOYZJJCOFCZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS/c25-18-11-15-9-5-4-8-14(15)10-16(18)19-21-22-20-24(19)23-17(12-26-20)13-6-2-1-3-7-13/h1-11,25H,12H2.
What are the key properties of 3-(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)naphthalen-2-ol?
3-(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)naphthalen-2-ol has a molecular weight of 358.43 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)naphthalen-2-ol is sourced from PubChem (CID 135506852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).