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

C25H28N6O3 — CID 142948614

IUPAC7-[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
SMILESC/C=C(\C)Nc1ccccc1-c1nc(C)c2cnc(Nc3cc(OC)c(OC)c(OC)c3)nn12
InChIInChI=1S/C25H28N6O3/c1-7-15(2)27-19-11-9-8-10-18(19)24-28-16(3)20-14-26-25(30-31(20)24)29-17-12-21(32-4)23(34-6)22(13-17)33-5/h7-14,27H,1-6H3,(H,29,30)/b15-7+
InChIKeyOXOVOAPUWUGBFZ-VIZOYTHASA-N
MW460.54 g/mol
LogP5.20
Rot. Bonds8

About 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

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 (PubChem CID 142948614) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID142948614
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Name7-[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
SMILESC/C=C(\C)Nc1ccccc1-c1nc(C)c2cnc(Nc3cc(OC)c(OC)c(OC)c3)nn12
InChIInChI=1S/C25H28N6O3/c1-7-15(2)27-19-11-9-8-10-18(19)24-28-16(3)20-14-26-25(30-31(20)24)29-17-12-21(32-4)23(34-6)22(13-17)33-5/h7-14,27H,1-6H3,(H,29,30)/b15-7+
InChIKeyOXOVOAPUWUGBFZ-VIZOYTHASA-N
XLogP5.20
TPSA94.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C(\C)Nc1ccccc1-c1nc(C)c2cnc(Nc3cc(OC)c(OC)c(OC)c3)nn12.
What is the InChIKey of 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?
The InChIKey is OXOVOAPUWUGBFZ-VIZOYTHASA-N. The full InChI is InChI=1S/C25H28N6O3/c1-7-15(2)27-19-11-9-8-10-18(19)24-28-16(3)20-14-26-25(30-31(20)24)29-17-12-21(32-4)23(34-6)22(13-17)33-5/h7-14,27H,1-6H3,(H,29,30)/b15-7+.
What are the key properties of 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?
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 has a molecular weight of 460.54 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142948614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).