7-(4-chlorophenyl)-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C12H10ClN5S — CID 2819376

IUPAC7-(4-chlorophenyl)-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCSc1nc(N)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C12H10ClN5S/c1-19-12-15-10-6-9(17-18(10)11(14)16-12)7-2-4-8(13)5-3-7/h2-6H,1H3,(H2,14,15,16)
InChIKeyUVPJBOGWGZNTPK-UHFFFAOYSA-N
MW291.77 g/mol
LogP2.75
Rot. Bonds2

About 7-(4-chlorophenyl)-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine

7-(4-chlorophenyl)-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 2819376) has the molecular formula C12H10ClN5S and a molecular weight of 291.77 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID2819376
Molecular FormulaC12H10ClN5S
Molecular Weight291.77 g/mol
Exact Mass291.03
IUPAC Name7-(4-chlorophenyl)-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCSc1nc(N)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C12H10ClN5S/c1-19-12-15-10-6-9(17-18(10)11(14)16-12)7-2-4-8(13)5-3-7/h2-6H,1H3,(H2,14,15,16)
InChIKeyUVPJBOGWGZNTPK-UHFFFAOYSA-N
XLogP2.75
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.77
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 7-(4-chlorophenyl)-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 2819376) is 7-(4-chlorophenyl)-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 7-(4-chlorophenyl)-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 7-(4-chlorophenyl)-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CSc1nc(N)n2nc(-c3ccc(Cl)cc3)cc2n1.
What is the InChIKey of 7-(4-chlorophenyl)-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is UVPJBOGWGZNTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5S/c1-19-12-15-10-6-9(17-18(10)11(14)16-12)7-2-4-8(13)5-3-7/h2-6H,1H3,(H2,14,15,16).
What are the key properties of 7-(4-chlorophenyl)-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
7-(4-chlorophenyl)-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 291.77 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 2819376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).