8-(4-methoxyphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C19H25N5O — CID 42618166

IUPAC8-(4-methoxyphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCC(CC)Nc1nc(C)nc2c(-c3ccc(OC)cc3)c(C)nn12
InChIInChI=1S/C19H25N5O/c1-6-15(7-2)22-19-21-13(4)20-18-17(12(3)23-24(18)19)14-8-10-16(25-5)11-9-14/h8-11,15H,6-7H2,1-5H3,(H,20,21,22)
InChIKeyWXGDNZKWKCUUGV-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.02
Rot. Bonds6

About 8-(4-methoxyphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

8-(4-methoxyphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618166) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618166
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name8-(4-methoxyphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCC(CC)Nc1nc(C)nc2c(-c3ccc(OC)cc3)c(C)nn12
InChIInChI=1S/C19H25N5O/c1-6-15(7-2)22-19-21-13(4)20-18-17(12(3)23-24(18)19)14-8-10-16(25-5)11-9-14/h8-11,15H,6-7H2,1-5H3,(H,20,21,22)
InChIKeyWXGDNZKWKCUUGV-UHFFFAOYSA-N
XLogP4.02
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(4-methoxyphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618166) is 8-(4-methoxyphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(4-methoxyphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(4-methoxyphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCC(CC)Nc1nc(C)nc2c(-c3ccc(OC)cc3)c(C)nn12.
What is the InChIKey of 8-(4-methoxyphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is WXGDNZKWKCUUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-6-15(7-2)22-19-21-13(4)20-18-17(12(3)23-24(18)19)14-8-10-16(25-5)11-9-14/h8-11,15H,6-7H2,1-5H3,(H,20,21,22).
What are the key properties of 8-(4-methoxyphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(4-methoxyphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 339.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).