7-(4-fluorophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine

C21H20FN5O3 — CID 11189040

IUPAC7-(4-fluorophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
SMILESCOc1cc(Nc2ncc3c(C)nc(-c4ccc(F)cc4)n3n2)cc(OC)c1OC
InChIInChI=1S/C21H20FN5O3/c1-12-16-11-23-21(25-15-9-17(28-2)19(30-4)18(10-15)29-3)26-27(16)20(24-12)13-5-7-14(22)8-6-13/h5-11H,1-4H3,(H,25,26)
InChIKeyIVWUBHFTLDRTBB-UHFFFAOYSA-N
MW409.42 g/mol
LogP4.01
Rot. Bonds6

About 7-(4-fluorophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine

7-(4-fluorophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine (PubChem CID 11189040) has the molecular formula C21H20FN5O3 and a molecular weight of 409.42 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
PubChem CID11189040
Molecular FormulaC21H20FN5O3
Molecular Weight409.42 g/mol
Exact Mass409.16
IUPAC Name7-(4-fluorophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
SMILESCOc1cc(Nc2ncc3c(C)nc(-c4ccc(F)cc4)n3n2)cc(OC)c1OC
InChIInChI=1S/C21H20FN5O3/c1-12-16-11-23-21(25-15-9-17(28-2)19(30-4)18(10-15)29-3)26-27(16)20(24-12)13-5-7-14(22)8-6-13/h5-11H,1-4H3,(H,25,26)
InChIKeyIVWUBHFTLDRTBB-UHFFFAOYSA-N
XLogP4.01
TPSA82.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 7-(4-fluorophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine (CID 11189040) is 7-(4-fluorophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 7-(4-fluorophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine is COc1cc(Nc2ncc3c(C)nc(-c4ccc(F)cc4)n3n2)cc(OC)c1OC.
What is the InChIKey of 7-(4-fluorophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine?
The InChIKey is IVWUBHFTLDRTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O3/c1-12-16-11-23-21(25-15-9-17(28-2)19(30-4)18(10-15)29-3)26-27(16)20(24-12)13-5-7-14(22)8-6-13/h5-11H,1-4H3,(H,25,26).
What are the key properties of 7-(4-fluorophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine?
7-(4-fluorophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine has a molecular weight of 409.42 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 11189040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).