8-[(5-amino-2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine

C18H17FN6O — CID 166010199

IUPAC8-[(5-amino-2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine
SMILESCc1ccc(-c2nc(N)nc3c(Cc4cc(N)ccc4F)c(C)nn23)o1
InChIInChI=1S/C18H17FN6O/c1-9-3-6-15(26-9)17-23-18(21)22-16-13(10(2)24-25(16)17)8-11-7-12(20)4-5-14(11)19/h3-7H,8,20H2,1-2H3,(H2,21,22)
InChIKeyNEXVRJXXLHIYIA-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.90
Rot. Bonds3

About 8-[(5-amino-2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine

8-[(5-amino-2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine (PubChem CID 166010199) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is 8-[(5-amino-2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine.

Molecular Properties

Compound Name8-[(5-amino-2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine
PubChem CID166010199
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name8-[(5-amino-2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine
SMILESCc1ccc(-c2nc(N)nc3c(Cc4cc(N)ccc4F)c(C)nn23)o1
InChIInChI=1S/C18H17FN6O/c1-9-3-6-15(26-9)17-23-18(21)22-16-13(10(2)24-25(16)17)8-11-7-12(20)4-5-14(11)19/h3-7H,8,20H2,1-2H3,(H2,21,22)
InChIKeyNEXVRJXXLHIYIA-UHFFFAOYSA-N
XLogP2.90
TPSA108.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-amino-2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine?
The IUPAC name of 8-[(5-amino-2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine (CID 166010199) is 8-[(5-amino-2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine.
What is the SMILES notation for 8-[(5-amino-2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine?
The canonical SMILES for 8-[(5-amino-2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine is Cc1ccc(-c2nc(N)nc3c(Cc4cc(N)ccc4F)c(C)nn23)o1.
What is the InChIKey of 8-[(5-amino-2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine?
The InChIKey is NEXVRJXXLHIYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O/c1-9-3-6-15(26-9)17-23-18(21)22-16-13(10(2)24-25(16)17)8-11-7-12(20)4-5-14(11)19/h3-7H,8,20H2,1-2H3,(H2,21,22).
What are the key properties of 8-[(5-amino-2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine?
8-[(5-amino-2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine has a molecular weight of 352.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-amino-2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine is sourced from PubChem (CID 166010199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).