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

C19H23N5O — CID 42618176

IUPACN-cyclobutyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOc1ccc(-c2c(C)nn3c(NC4CCC4)nc(C)nc23)c(C)c1
InChIInChI=1S/C19H23N5O/c1-11-10-15(25-4)8-9-16(11)17-12(2)23-24-18(17)20-13(3)21-19(24)22-14-6-5-7-14/h8-10,14H,5-7H2,1-4H3,(H,20,21,22)
InChIKeyVDYJDYWYRXWPTL-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.69
Rot. Bonds4

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

N-cyclobutyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618176) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-cyclobutyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-cyclobutyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618176
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-cyclobutyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOc1ccc(-c2c(C)nn3c(NC4CCC4)nc(C)nc23)c(C)c1
InChIInChI=1S/C19H23N5O/c1-11-10-15(25-4)8-9-16(11)17-12(2)23-24-18(17)20-13(3)21-19(24)22-14-6-5-7-14/h8-10,14H,5-7H2,1-4H3,(H,20,21,22)
InChIKeyVDYJDYWYRXWPTL-UHFFFAOYSA-N
XLogP3.69
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-cyclobutyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618176) is N-cyclobutyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-cyclobutyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-cyclobutyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is COc1ccc(-c2c(C)nn3c(NC4CCC4)nc(C)nc23)c(C)c1.
What is the InChIKey of N-cyclobutyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is VDYJDYWYRXWPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-11-10-15(25-4)8-9-16(11)17-12(2)23-24-18(17)20-13(3)21-19(24)22-14-6-5-7-14/h8-10,14H,5-7H2,1-4H3,(H,20,21,22).
What are the key properties of N-cyclobutyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-cyclobutyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 337.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).