3-(5-methyl-1H-pyrazol-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C14H12N6S — CID 1423272

IUPAC3-(5-methyl-1H-pyrazol-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCc1cc(-c2nnc3n2N=C(c2ccccc2)CS3)n[nH]1
InChIInChI=1S/C14H12N6S/c1-9-7-11(16-15-9)13-17-18-14-20(13)19-12(8-21-14)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyDIAYXIMNJNKDNB-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.33
Rot. Bonds2

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

3-(5-methyl-1H-pyrazol-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 1423272) has the molecular formula C14H12N6S and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-(5-methyl-1H-pyrazol-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name3-(5-methyl-1H-pyrazol-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID1423272
Molecular FormulaC14H12N6S
Molecular Weight296.36 g/mol
Exact Mass296.08
IUPAC Name3-(5-methyl-1H-pyrazol-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCc1cc(-c2nnc3n2N=C(c2ccccc2)CS3)n[nH]1
InChIInChI=1S/C14H12N6S/c1-9-7-11(16-15-9)13-17-18-14-20(13)19-12(8-21-14)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyDIAYXIMNJNKDNB-UHFFFAOYSA-N
XLogP2.33
TPSA71.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-fluorophenyl)-3-(5-methyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 3811303
6-Naphthalen-2-yl-3-(5-phenyl-2H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 1400145
3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 665473
6-(2-bromophenyl)-3-(5-methyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 1402850
6-Biphenyl-4-yl-3-(5-phenyl-2H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 3849521
6-(4-chlorophenyl)-3-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 665421
6-(4-chlorophenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 1400670
6-methyl-3-(3-phenyl-1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 665524
6-(4-bromophenyl)-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 665525
3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 887538
2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
CID 4902073
6-(4-fluorophenyl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 665554

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-pyrazol-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 3-(5-methyl-1H-pyrazol-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 1423272) is 3-(5-methyl-1H-pyrazol-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 3-(5-methyl-1H-pyrazol-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 3-(5-methyl-1H-pyrazol-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is Cc1cc(-c2nnc3n2N=C(c2ccccc2)CS3)n[nH]1.
What is the InChIKey of 3-(5-methyl-1H-pyrazol-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is DIAYXIMNJNKDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6S/c1-9-7-11(16-15-9)13-17-18-14-20(13)19-12(8-21-14)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 3-(5-methyl-1H-pyrazol-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
3-(5-methyl-1H-pyrazol-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 296.36 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-pyrazol-3-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 1423272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).