8-(2,4-dimethoxy-6-methylphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C20H27N5O2 — CID 42618181

IUPAC8-(2,4-dimethoxy-6-methylphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCN(CC)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12
InChIInChI=1S/C20H27N5O2/c1-8-24(9-2)20-22-14(5)21-19-18(13(4)23-25(19)20)17-12(3)10-15(26-6)11-16(17)27-7/h10-11H,8-9H2,1-7H3
InChIKeyPQGFBAUEMVAKPI-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.58
Rot. Bonds6

About 8-(2,4-dimethoxy-6-methylphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

8-(2,4-dimethoxy-6-methylphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618181) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 8-(2,4-dimethoxy-6-methylphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(2,4-dimethoxy-6-methylphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618181
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name8-(2,4-dimethoxy-6-methylphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCN(CC)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12
InChIInChI=1S/C20H27N5O2/c1-8-24(9-2)20-22-14(5)21-19-18(13(4)23-25(19)20)17-12(3)10-15(26-6)11-16(17)27-7/h10-11H,8-9H2,1-7H3
InChIKeyPQGFBAUEMVAKPI-UHFFFAOYSA-N
XLogP3.58
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethoxy-6-methylphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(2,4-dimethoxy-6-methylphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618181) is 8-(2,4-dimethoxy-6-methylphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(2,4-dimethoxy-6-methylphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(2,4-dimethoxy-6-methylphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCN(CC)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12.
What is the InChIKey of 8-(2,4-dimethoxy-6-methylphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is PQGFBAUEMVAKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-8-24(9-2)20-22-14(5)21-19-18(13(4)23-25(19)20)17-12(3)10-15(26-6)11-16(17)27-7/h10-11H,8-9H2,1-7H3.
What are the key properties of 8-(2,4-dimethoxy-6-methylphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(2,4-dimethoxy-6-methylphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 369.47 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethoxy-6-methylphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).