6-(2-fluoro-4-methoxyphenyl)-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,2,4-triazin-3-amine

C18H24FN5O — CID 166992419

IUPAC6-(2-fluoro-4-methoxyphenyl)-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2nnc(NCC3CCCCN3C)nc2C)c(F)c1
InChIInChI=1S/C18H24FN5O/c1-12-17(15-8-7-14(25-3)10-16(15)19)22-23-18(21-12)20-11-13-6-4-5-9-24(13)2/h7-8,10,13H,4-6,9,11H2,1-3H3,(H,20,21,23)
InChIKeyPDILGGMDRKWBDF-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.89
Rot. Bonds5

About 6-(2-fluoro-4-methoxyphenyl)-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,2,4-triazin-3-amine

6-(2-fluoro-4-methoxyphenyl)-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,2,4-triazin-3-amine (PubChem CID 166992419) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is 6-(2-fluoro-4-methoxyphenyl)-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(2-fluoro-4-methoxyphenyl)-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,2,4-triazin-3-amine
PubChem CID166992419
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name6-(2-fluoro-4-methoxyphenyl)-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2nnc(NCC3CCCCN3C)nc2C)c(F)c1
InChIInChI=1S/C18H24FN5O/c1-12-17(15-8-7-14(25-3)10-16(15)19)22-23-18(21-12)20-11-13-6-4-5-9-24(13)2/h7-8,10,13H,4-6,9,11H2,1-3H3,(H,20,21,23)
InChIKeyPDILGGMDRKWBDF-UHFFFAOYSA-N
XLogP2.89
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-methoxyphenyl)-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 6-(2-fluoro-4-methoxyphenyl)-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,2,4-triazin-3-amine (CID 166992419) is 6-(2-fluoro-4-methoxyphenyl)-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(2-fluoro-4-methoxyphenyl)-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(2-fluoro-4-methoxyphenyl)-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,2,4-triazin-3-amine is COc1ccc(-c2nnc(NCC3CCCCN3C)nc2C)c(F)c1.
What is the InChIKey of 6-(2-fluoro-4-methoxyphenyl)-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,2,4-triazin-3-amine?
The InChIKey is PDILGGMDRKWBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-12-17(15-8-7-14(25-3)10-16(15)19)22-23-18(21-12)20-11-13-6-4-5-9-24(13)2/h7-8,10,13H,4-6,9,11H2,1-3H3,(H,20,21,23).
What are the key properties of 6-(2-fluoro-4-methoxyphenyl)-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,2,4-triazin-3-amine?
6-(2-fluoro-4-methoxyphenyl)-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,2,4-triazin-3-amine has a molecular weight of 345.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-methoxyphenyl)-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 166992419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).