2-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine

C21H20BrN5O — CID 22329681

IUPAC2-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCOc1ccc(CNc2nc(-c3ccc(Br)cc3)nn3c(C)nc(C)c23)cc1
InChIInChI=1S/C21H20BrN5O/c1-13-19-21(23-12-15-4-10-18(28-3)11-5-15)25-20(26-27(19)14(2)24-13)16-6-8-17(22)9-7-16/h4-11H,12H2,1-3H3,(H,23,25,26)
InChIKeyUGSRDGAFDTYBOV-UHFFFAOYSA-N
MW438.33 g/mol
LogP4.79
Rot. Bonds5

About 2-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine

2-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine (PubChem CID 22329681) has the molecular formula C21H20BrN5O and a molecular weight of 438.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine
PubChem CID22329681
Molecular FormulaC21H20BrN5O
Molecular Weight438.33 g/mol
Exact Mass437.09
IUPAC Name2-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCOc1ccc(CNc2nc(-c3ccc(Br)cc3)nn3c(C)nc(C)c23)cc1
InChIInChI=1S/C21H20BrN5O/c1-13-19-21(23-12-15-4-10-18(28-3)11-5-15)25-20(26-27(19)14(2)24-13)16-6-8-17(22)9-7-16/h4-11H,12H2,1-3H3,(H,23,25,26)
InChIKeyUGSRDGAFDTYBOV-UHFFFAOYSA-N
XLogP4.79
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.33
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine (CID 22329681) is 2-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine is COc1ccc(CNc2nc(-c3ccc(Br)cc3)nn3c(C)nc(C)c23)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine?
The InChIKey is UGSRDGAFDTYBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN5O/c1-13-19-21(23-12-15-4-10-18(28-3)11-5-15)25-20(26-27(19)14(2)24-13)16-6-8-17(22)9-7-16/h4-11H,12H2,1-3H3,(H,23,25,26).
What are the key properties of 2-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine?
2-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine has a molecular weight of 438.33 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 22329681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).