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

C23H20N6O2S — CID 66502562

IUPAC7-(methoxymethyl)-8-(4-methoxyphenyl)-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(OC)cc1
InChIInChI=1S/C23H20N6O2S/c1-30-12-17-19(15-8-10-16(31-2)11-9-15)22-27-26-20(21(24)29(22)28-17)23-25-18(13-32-23)14-6-4-3-5-7-14/h3-11,13H,12,24H2,1-2H3
InChIKeyWNKUVCWRGIPSQL-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.32
Rot. Bonds6

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

7-(methoxymethyl)-8-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine (PubChem CID 66502562) has the molecular formula C23H20N6O2S and a molecular weight of 444.52 g/mol. Its IUPAC name is 7-(methoxymethyl)-8-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-(methoxymethyl)-8-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
PubChem CID66502562
Molecular FormulaC23H20N6O2S
Molecular Weight444.52 g/mol
Exact Mass444.14
IUPAC Name7-(methoxymethyl)-8-(4-methoxyphenyl)-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(OC)cc1
InChIInChI=1S/C23H20N6O2S/c1-30-12-17-19(15-8-10-16(31-2)11-9-15)22-27-26-20(21(24)29(22)28-17)23-25-18(13-32-23)14-6-4-3-5-7-14/h3-11,13H,12,24H2,1-2H3
InChIKeyWNKUVCWRGIPSQL-UHFFFAOYSA-N
XLogP4.32
TPSA100.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

7-(methoxymethyl)-8-(4-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66502561
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66502906
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66502592
3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66502899
8-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66502531
5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
CID 45499510
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline
CID 61268827
5-(methoxymethyl)-6-(4-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17229460
5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-phenylmethoxyphenyl)triazol-4-amine
CID 53082546
5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
CID 53034207
2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 17190733

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-8-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The IUPAC name of 7-(methoxymethyl)-8-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine (CID 66502562) is 7-(methoxymethyl)-8-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-(methoxymethyl)-8-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The canonical SMILES for 7-(methoxymethyl)-8-(4-methoxyphenyl)-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(OC)cc1.
What is the InChIKey of 7-(methoxymethyl)-8-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The InChIKey is WNKUVCWRGIPSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2S/c1-30-12-17-19(15-8-10-16(31-2)11-9-15)22-27-26-20(21(24)29(22)28-17)23-25-18(13-32-23)14-6-4-3-5-7-14/h3-11,13H,12,24H2,1-2H3.
What are the key properties of 7-(methoxymethyl)-8-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
7-(methoxymethyl)-8-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine has a molecular weight of 444.52 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-8-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine is sourced from PubChem (CID 66502562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).