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

C21H20BrN5O3 — CID 11213555

IUPAC7-(3-bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
SMILESCOc1cc(Nc2ncc3c(C)nc(-c4cccc(Br)c4)n3n2)cc(OC)c1OC
InChIInChI=1S/C21H20BrN5O3/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)13-6-5-7-14(22)8-13/h5-11H,1-4H3,(H,25,26)
InChIKeyOPHVXMFZPABPCU-UHFFFAOYSA-N
MW470.33 g/mol
LogP4.63
Rot. Bonds6

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

7-(3-bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine (PubChem CID 11213555) has the molecular formula C21H20BrN5O3 and a molecular weight of 470.33 g/mol. Its IUPAC name is 7-(3-bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name7-(3-bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
PubChem CID11213555
Molecular FormulaC21H20BrN5O3
Molecular Weight470.33 g/mol
Exact Mass469.07
IUPAC Name7-(3-bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
SMILESCOc1cc(Nc2ncc3c(C)nc(-c4cccc(Br)c4)n3n2)cc(OC)c1OC
InChIInChI=1S/C21H20BrN5O3/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)13-6-5-7-14(22)8-13/h5-11H,1-4H3,(H,25,26)
InChIKeyOPHVXMFZPABPCU-UHFFFAOYSA-N
XLogP4.63
TPSA82.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.33
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-7-(1-methylpyrrol-2-yl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11200247
(E)-3-[3-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide
CID 58711931
3-[3-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide
CID 68869190
5-methyl-7-(2-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11293491
N-(3,5-dimethoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11302897
7-[2-[[(E)-but-2-en-2-yl]amino]phenyl]-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 142948614
2,2-dimethyl-N-[2-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexa-2,4-dien-1-yl]propanamide
CID 142948602
5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;trihydrochloride
CID 67203539
formaldehyde;4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzaldehyde
CID 142948620
5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 61374133
7-[2-fluoro-3-(2-fluorophenyl)phenyl]-N-(4-methoxyphenyl)-5-methylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 68869231
4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536125

Frequently Asked Questions

What is the IUPAC name of 7-(3-bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 7-(3-bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine (CID 11213555) is 7-(3-bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 7-(3-bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 7-(3-bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine is COc1cc(Nc2ncc3c(C)nc(-c4cccc(Br)c4)n3n2)cc(OC)c1OC.
What is the InChIKey of 7-(3-bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine?
The InChIKey is OPHVXMFZPABPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN5O3/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)13-6-5-7-14(22)8-13/h5-11H,1-4H3,(H,25,26).
What are the key properties of 7-(3-bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine?
7-(3-bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine has a molecular weight of 470.33 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 11213555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).