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

C23H19ClN6OS — CID 66502906

IUPAC3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESCCc1nn2c(N)c(-c3nc(-c4ccc(Cl)cc4)cs3)nnc2c1-c1ccc(OC)cc1
InChIInChI=1S/C23H19ClN6OS/c1-3-17-19(14-6-10-16(31-2)11-7-14)22-28-27-20(21(25)30(22)29-17)23-26-18(12-32-23)13-4-8-15(24)9-5-13/h4-12H,3,25H2,1-2H3
InChIKeyTXFCDRNBIPWYOX-UHFFFAOYSA-N
MW462.97 g/mol
LogP5.39
Rot. Bonds5

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

3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine (PubChem CID 66502906) has the molecular formula C23H19ClN6OS and a molecular weight of 462.97 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
PubChem CID66502906
Molecular FormulaC23H19ClN6OS
Molecular Weight462.97 g/mol
Exact Mass462.10
IUPAC Name3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESCCc1nn2c(N)c(-c3nc(-c4ccc(Cl)cc4)cs3)nnc2c1-c1ccc(OC)cc1
InChIInChI=1S/C23H19ClN6OS/c1-3-17-19(14-6-10-16(31-2)11-7-14)22-28-27-20(21(25)30(22)29-17)23-26-18(12-32-23)13-4-8-15(24)9-5-13/h4-12H,3,25H2,1-2H3
InChIKeyTXFCDRNBIPWYOX-UHFFFAOYSA-N
XLogP5.39
TPSA91.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.97
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine with MolForge

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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
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
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
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
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-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine
CID 53034271
5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
CID 45499510
3-(3-chloro-4-methylphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]triazol-4-amine
CID 45499545
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
CID 12621900
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline
CID 61268827
8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 16652870
2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 155943131

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The IUPAC name of 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) is 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The canonical SMILES for 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine is CCc1nn2c(N)c(-c3nc(-c4ccc(Cl)cc4)cs3)nnc2c1-c1ccc(OC)cc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The InChIKey is TXFCDRNBIPWYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6OS/c1-3-17-19(14-6-10-16(31-2)11-7-14)22-28-27-20(21(25)30(22)29-17)23-26-18(12-32-23)13-4-8-15(24)9-5-13/h4-12H,3,25H2,1-2H3.
What are the key properties of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine has a molecular weight of 462.97 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine is sourced from PubChem (CID 66502906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).