5-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,4-triazin-3-amine

C17H17FN4O2 — CID 25299116

IUPAC5-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(N(C)Cc3ccc(C)o3)n2)cc1F
InChIInChI=1S/C17H17FN4O2/c1-11-4-6-13(24-11)10-22(2)17-20-15(9-19-21-17)12-5-7-16(23-3)14(18)8-12/h4-9H,10H2,1-3H3
InChIKeyUEDGNXARPZOMHV-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.22
Rot. Bonds5

About 5-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,4-triazin-3-amine

5-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,4-triazin-3-amine (PubChem CID 25299116) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,4-triazin-3-amine
PubChem CID25299116
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(N(C)Cc3ccc(C)o3)n2)cc1F
InChIInChI=1S/C17H17FN4O2/c1-11-4-6-13(24-11)10-22(2)17-20-15(9-19-21-17)12-5-7-16(23-3)14(18)8-12/h4-9H,10H2,1-3H3
InChIKeyUEDGNXARPZOMHV-UHFFFAOYSA-N
XLogP3.22
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,4-triazin-3-amine (CID 25299116) is 5-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,4-triazin-3-amine is COc1ccc(-c2cnnc(N(C)Cc3ccc(C)o3)n2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,4-triazin-3-amine?
The InChIKey is UEDGNXARPZOMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-11-4-6-13(24-11)10-22(2)17-20-15(9-19-21-17)12-5-7-16(23-3)14(18)8-12/h4-9H,10H2,1-3H3.
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,4-triazin-3-amine?
5-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,4-triazin-3-amine has a molecular weight of 328.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 25299116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).