8-(4-fluorophenyl)-7-(methoxymethyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine

C22H17FN6OS — CID 66502521

IUPAC8-(4-fluorophenyl)-7-(methoxymethyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESCOCc1nn2c(N)c(-c3nc(-c4ccccc4)cs3)nnc2c1-c1ccc(F)cc1
InChIInChI=1S/C22H17FN6OS/c1-30-11-16-18(14-7-9-15(23)10-8-14)21-27-26-19(20(24)29(21)28-16)22-25-17(12-31-22)13-5-3-2-4-6-13/h2-10,12H,11,24H2,1H3
InChIKeyTZEKOFNVSXUBAL-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.45
Rot. Bonds5

About 8-(4-fluorophenyl)-7-(methoxymethyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine

8-(4-fluorophenyl)-7-(methoxymethyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine (PubChem CID 66502521) has the molecular formula C22H17FN6OS and a molecular weight of 432.48 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-7-(methoxymethyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name8-(4-fluorophenyl)-7-(methoxymethyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
PubChem CID66502521
Molecular FormulaC22H17FN6OS
Molecular Weight432.48 g/mol
Exact Mass432.12
IUPAC Name8-(4-fluorophenyl)-7-(methoxymethyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESCOCc1nn2c(N)c(-c3nc(-c4ccccc4)cs3)nnc2c1-c1ccc(F)cc1
InChIInChI=1S/C22H17FN6OS/c1-30-11-16-18(14-7-9-15(23)10-8-14)21-27-26-19(20(24)29(21)28-16)22-25-17(12-31-22)13-5-3-2-4-6-13/h2-10,12H,11,24H2,1H3
InChIKeyTZEKOFNVSXUBAL-UHFFFAOYSA-N
XLogP4.45
TPSA91.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-7-(methoxymethyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The IUPAC name of 8-(4-fluorophenyl)-7-(methoxymethyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine (CID 66502521) is 8-(4-fluorophenyl)-7-(methoxymethyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine.
What is the SMILES notation for 8-(4-fluorophenyl)-7-(methoxymethyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The canonical SMILES for 8-(4-fluorophenyl)-7-(methoxymethyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine is COCc1nn2c(N)c(-c3nc(-c4ccccc4)cs3)nnc2c1-c1ccc(F)cc1.
What is the InChIKey of 8-(4-fluorophenyl)-7-(methoxymethyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The InChIKey is TZEKOFNVSXUBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6OS/c1-30-11-16-18(14-7-9-15(23)10-8-14)21-27-26-19(20(24)29(21)28-16)22-25-17(12-31-22)13-5-3-2-4-6-13/h2-10,12H,11,24H2,1H3.
What are the key properties of 8-(4-fluorophenyl)-7-(methoxymethyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
8-(4-fluorophenyl)-7-(methoxymethyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine has a molecular weight of 432.48 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-7-(methoxymethyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine is sourced from PubChem (CID 66502521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).