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

C20H25N5O2 — CID 42618180

IUPACN-cyclobutyl-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOc1cc(C)c(-c2c(C)nn3c(NC4CCC4)nc(C)nc23)c(OC)c1
InChIInChI=1S/C20H25N5O2/c1-11-9-15(26-4)10-16(27-5)17(11)18-12(2)24-25-19(18)21-13(3)22-20(25)23-14-7-6-8-14/h9-10,14H,6-8H2,1-5H3,(H,21,22,23)
InChIKeyLMJYQQWNJXNUES-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.70
Rot. Bonds5

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

N-cyclobutyl-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618180) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-cyclobutyl-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-cyclobutyl-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618180
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-cyclobutyl-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOc1cc(C)c(-c2c(C)nn3c(NC4CCC4)nc(C)nc23)c(OC)c1
InChIInChI=1S/C20H25N5O2/c1-11-9-15(26-4)10-16(27-5)17(11)18-12(2)24-25-19(18)21-13(3)22-20(25)23-14-7-6-8-14/h9-10,14H,6-8H2,1-5H3,(H,21,22,23)
InChIKeyLMJYQQWNJXNUES-UHFFFAOYSA-N
XLogP3.70
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-cyclobutyl-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618180) is N-cyclobutyl-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-cyclobutyl-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-cyclobutyl-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is COc1cc(C)c(-c2c(C)nn3c(NC4CCC4)nc(C)nc23)c(OC)c1.
What is the InChIKey of N-cyclobutyl-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is LMJYQQWNJXNUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-11-9-15(26-4)10-16(27-5)17(11)18-12(2)24-25-19(18)21-13(3)22-20(25)23-14-7-6-8-14/h9-10,14H,6-8H2,1-5H3,(H,21,22,23).
What are the key properties of N-cyclobutyl-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-cyclobutyl-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 367.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).