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

C21H14Cl2N6S — CID 66502531

IUPAC8-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESCc1nn2c(N)c(-c3nc(-c4ccc(Cl)cc4)cs3)nnc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H14Cl2N6S/c1-11-17(13-4-8-15(23)9-5-13)20-27-26-18(19(24)29(20)28-11)21-25-16(10-30-21)12-2-6-14(22)7-3-12/h2-10H,24H2,1H3
InChIKeyMJDLKYYDEUZGCG-UHFFFAOYSA-N
MW453.36 g/mol
LogP5.78
Rot. Bonds3

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

8-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-amine (PubChem CID 66502531) has the molecular formula C21H14Cl2N6S and a molecular weight of 453.36 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name8-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-amine
PubChem CID66502531
Molecular FormulaC21H14Cl2N6S
Molecular Weight453.36 g/mol
Exact Mass452.04
IUPAC Name8-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESCc1nn2c(N)c(-c3nc(-c4ccc(Cl)cc4)cs3)nnc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H14Cl2N6S/c1-11-17(13-4-8-15(23)9-5-13)20-27-26-18(19(24)29(20)28-11)21-25-16(10-30-21)12-2-6-14(22)7-3-12/h2-10H,24H2,1H3
InChIKeyMJDLKYYDEUZGCG-UHFFFAOYSA-N
XLogP5.78
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.36
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-amine?
The IUPAC name of 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) is 8-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-amine.
What is the SMILES notation for 8-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-amine?
The canonical SMILES for 8-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-amine is Cc1nn2c(N)c(-c3nc(-c4ccc(Cl)cc4)cs3)nnc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 8-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-amine?
The InChIKey is MJDLKYYDEUZGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N6S/c1-11-17(13-4-8-15(23)9-5-13)20-27-26-18(19(24)29(20)28-11)21-25-16(10-30-21)12-2-6-14(22)7-3-12/h2-10H,24H2,1H3.
What are the key properties of 8-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-amine?
8-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-amine has a molecular weight of 453.36 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-amine is sourced from PubChem (CID 66502531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).