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

C20H25N5O2 — CID 42618186

IUPAC8-(2,4-dimethoxy-6-methylphenyl)-N,2,7-trimethyl-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESC=CCN(C)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12
InChIInChI=1S/C20H25N5O2/c1-8-9-24(5)20-22-14(4)21-19-18(13(3)23-25(19)20)17-12(2)10-15(26-6)11-16(17)27-7/h8,10-11H,1,9H2,2-7H3
InChIKeyQUKQYNSOWIXXCA-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.36
Rot. Bonds6

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

8-(2,4-dimethoxy-6-methylphenyl)-N,2,7-trimethyl-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618186) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 8-(2,4-dimethoxy-6-methylphenyl)-N,2,7-trimethyl-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(2,4-dimethoxy-6-methylphenyl)-N,2,7-trimethyl-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618186
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name8-(2,4-dimethoxy-6-methylphenyl)-N,2,7-trimethyl-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESC=CCN(C)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12
InChIInChI=1S/C20H25N5O2/c1-8-9-24(5)20-22-14(4)21-19-18(13(3)23-25(19)20)17-12(2)10-15(26-6)11-16(17)27-7/h8,10-11H,1,9H2,2-7H3
InChIKeyQUKQYNSOWIXXCA-UHFFFAOYSA-N
XLogP3.36
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethoxy-6-methylphenyl)-N,2,7-trimethyl-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(2,4-dimethoxy-6-methylphenyl)-N,2,7-trimethyl-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618186) is 8-(2,4-dimethoxy-6-methylphenyl)-N,2,7-trimethyl-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(2,4-dimethoxy-6-methylphenyl)-N,2,7-trimethyl-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(2,4-dimethoxy-6-methylphenyl)-N,2,7-trimethyl-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazin-4-amine is C=CCN(C)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12.
What is the InChIKey of 8-(2,4-dimethoxy-6-methylphenyl)-N,2,7-trimethyl-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is QUKQYNSOWIXXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-8-9-24(5)20-22-14(4)21-19-18(13(3)23-25(19)20)17-12(2)10-15(26-6)11-16(17)27-7/h8,10-11H,1,9H2,2-7H3.
What are the key properties of 8-(2,4-dimethoxy-6-methylphenyl)-N,2,7-trimethyl-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(2,4-dimethoxy-6-methylphenyl)-N,2,7-trimethyl-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 367.45 g/mol, XLogP of 3.36, 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,2,7-trimethyl-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).