3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine

C21H15BrN6S — CID 66502592

IUPAC3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESCc1nn2c(N)c(-c3nc(-c4ccc(Br)cc4)cs3)nnc2c1-c1ccccc1
InChIInChI=1S/C21H15BrN6S/c1-12-17(14-5-3-2-4-6-14)20-26-25-18(19(23)28(20)27-12)21-24-16(11-29-21)13-7-9-15(22)10-8-13/h2-11H,23H2,1H3
InChIKeyAUOGPLJAVHGZOL-UHFFFAOYSA-N
MW463.36 g/mol
LogP5.23
Rot. Bonds3

About 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine

3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine (PubChem CID 66502592) has the molecular formula C21H15BrN6S and a molecular weight of 463.36 g/mol. Its IUPAC name is 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
PubChem CID66502592
Molecular FormulaC21H15BrN6S
Molecular Weight463.36 g/mol
Exact Mass462.03
IUPAC Name3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESCc1nn2c(N)c(-c3nc(-c4ccc(Br)cc4)cs3)nnc2c1-c1ccccc1
InChIInChI=1S/C21H15BrN6S/c1-12-17(14-5-3-2-4-6-14)20-26-25-18(19(23)28(20)27-12)21-24-16(11-29-21)13-7-9-15(22)10-8-13/h2-11H,23H2,1H3
InChIKeyAUOGPLJAVHGZOL-UHFFFAOYSA-N
XLogP5.23
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.36
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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
5-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
CID 53034256
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
2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline
CID 61269008
4-amino-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 102128230
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
2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 71732963
4-amino-N'-hydroxy-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide
CID 135616084
4-[2-(4-amino-8-cyano-7-methylsulfanylpyrazolo[5,1-c][1,2,4]triazin-3-yl)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 25215658
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
CID 53034257

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine?
The IUPAC name of 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine (CID 66502592) is 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine.
What is the SMILES notation for 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine?
The canonical SMILES for 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine is Cc1nn2c(N)c(-c3nc(-c4ccc(Br)cc4)cs3)nnc2c1-c1ccccc1.
What is the InChIKey of 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine?
The InChIKey is AUOGPLJAVHGZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN6S/c1-12-17(14-5-3-2-4-6-14)20-26-25-18(19(23)28(20)27-12)21-24-16(11-29-21)13-7-9-15(22)10-8-13/h2-11H,23H2,1H3.
What are the key properties of 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine?
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine has a molecular weight of 463.36 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine is sourced from PubChem (CID 66502592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).