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

C20H22N6O3 — CID 11200247

IUPAC5-methyl-7-(1-methylpyrrol-2-yl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
SMILESCOc1cc(Nc2ncc3c(C)nc(-c4cccn4C)n3n2)cc(OC)c1OC
InChIInChI=1S/C20H22N6O3/c1-12-15-11-21-20(24-26(15)19(22-12)14-7-6-8-25(14)2)23-13-9-16(27-3)18(29-5)17(10-13)28-4/h6-11H,1-5H3,(H,23,24)
InChIKeySVVCJLUSHFEQKO-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.21
Rot. Bonds6

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

5-methyl-7-(1-methylpyrrol-2-yl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine (PubChem CID 11200247) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 5-methyl-7-(1-methylpyrrol-2-yl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name5-methyl-7-(1-methylpyrrol-2-yl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
PubChem CID11200247
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name5-methyl-7-(1-methylpyrrol-2-yl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
SMILESCOc1cc(Nc2ncc3c(C)nc(-c4cccn4C)n3n2)cc(OC)c1OC
InChIInChI=1S/C20H22N6O3/c1-12-15-11-21-20(24-26(15)19(22-12)14-7-6-8-25(14)2)23-13-9-16(27-3)18(29-5)17(10-13)28-4/h6-11H,1-5H3,(H,23,24)
InChIKeySVVCJLUSHFEQKO-UHFFFAOYSA-N
XLogP3.21
TPSA87.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(1-methylpyrrol-2-yl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 5-methyl-7-(1-methylpyrrol-2-yl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine (CID 11200247) is 5-methyl-7-(1-methylpyrrol-2-yl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 5-methyl-7-(1-methylpyrrol-2-yl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 5-methyl-7-(1-methylpyrrol-2-yl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine is COc1cc(Nc2ncc3c(C)nc(-c4cccn4C)n3n2)cc(OC)c1OC.
What is the InChIKey of 5-methyl-7-(1-methylpyrrol-2-yl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine?
The InChIKey is SVVCJLUSHFEQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-12-15-11-21-20(24-26(15)19(22-12)14-7-6-8-25(14)2)23-13-9-16(27-3)18(29-5)17(10-13)28-4/h6-11H,1-5H3,(H,23,24).
What are the key properties of 5-methyl-7-(1-methylpyrrol-2-yl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine?
5-methyl-7-(1-methylpyrrol-2-yl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine has a molecular weight of 394.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(1-methylpyrrol-2-yl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 11200247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).