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

C20H26FN5O — CID 42618196

IUPAC8-(5-fluoro-4-methoxy-2-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCC(CC)Nc1nc(C)nc2c(-c3cc(F)c(OC)cc3C)c(C)nn12
InChIInChI=1S/C20H26FN5O/c1-7-14(8-2)24-20-23-13(5)22-19-18(12(4)25-26(19)20)15-10-16(21)17(27-6)9-11(15)3/h9-10,14H,7-8H2,1-6H3,(H,22,23,24)
InChIKeyACNQTWXNBWDSRD-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.46
Rot. Bonds6

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

8-(5-fluoro-4-methoxy-2-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618196) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is 8-(5-fluoro-4-methoxy-2-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(5-fluoro-4-methoxy-2-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618196
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name8-(5-fluoro-4-methoxy-2-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCC(CC)Nc1nc(C)nc2c(-c3cc(F)c(OC)cc3C)c(C)nn12
InChIInChI=1S/C20H26FN5O/c1-7-14(8-2)24-20-23-13(5)22-19-18(12(4)25-26(19)20)15-10-16(21)17(27-6)9-11(15)3/h9-10,14H,7-8H2,1-6H3,(H,22,23,24)
InChIKeyACNQTWXNBWDSRD-UHFFFAOYSA-N
XLogP4.46
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoro-4-methoxy-2-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(5-fluoro-4-methoxy-2-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618196) is 8-(5-fluoro-4-methoxy-2-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(5-fluoro-4-methoxy-2-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(5-fluoro-4-methoxy-2-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCC(CC)Nc1nc(C)nc2c(-c3cc(F)c(OC)cc3C)c(C)nn12.
What is the InChIKey of 8-(5-fluoro-4-methoxy-2-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is ACNQTWXNBWDSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-7-14(8-2)24-20-23-13(5)22-19-18(12(4)25-26(19)20)15-10-16(21)17(27-6)9-11(15)3/h9-10,14H,7-8H2,1-6H3,(H,22,23,24).
What are the key properties of 8-(5-fluoro-4-methoxy-2-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(5-fluoro-4-methoxy-2-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 371.46 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoro-4-methoxy-2-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).