8-(2,4-dichlorophenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C17H19Cl2N5 — CID 10832574

IUPAC8-(2,4-dichlorophenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12
InChIInChI=1S/C17H19Cl2N5/c1-5-23(6-2)17-21-11(4)20-16-15(10(3)22-24(16)17)13-8-7-12(18)9-14(13)19/h7-9H,5-6H2,1-4H3
InChIKeyDYEGZKIYHACNON-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.56
Rot. Bonds4

About 8-(2,4-dichlorophenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

8-(2,4-dichlorophenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 10832574) has the molecular formula C17H19Cl2N5 and a molecular weight of 364.28 g/mol. Its IUPAC name is 8-(2,4-dichlorophenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(2,4-dichlorophenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID10832574
Molecular FormulaC17H19Cl2N5
Molecular Weight364.28 g/mol
Exact Mass363.10
IUPAC Name8-(2,4-dichlorophenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12
InChIInChI=1S/C17H19Cl2N5/c1-5-23(6-2)17-21-11(4)20-16-15(10(3)22-24(16)17)13-8-7-12(18)9-14(13)19/h7-9H,5-6H2,1-4H3
InChIKeyDYEGZKIYHACNON-UHFFFAOYSA-N
XLogP4.56
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorophenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(2,4-dichlorophenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 10832574) is 8-(2,4-dichlorophenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(2,4-dichlorophenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(2,4-dichlorophenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12.
What is the InChIKey of 8-(2,4-dichlorophenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is DYEGZKIYHACNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N5/c1-5-23(6-2)17-21-11(4)20-16-15(10(3)22-24(16)17)13-8-7-12(18)9-14(13)19/h7-9H,5-6H2,1-4H3.
What are the key properties of 8-(2,4-dichlorophenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(2,4-dichlorophenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 364.28 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichlorophenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 10832574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).