N-(3,4-dimethoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine

C20H19N5O2 — CID 11405758

IUPACN-(3,4-dimethoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
SMILESCOc1ccc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc1OC
InChIInChI=1S/C20H19N5O2/c1-13-16-12-21-20(23-15-9-10-17(26-2)18(11-15)27-3)24-25(16)19(22-13)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,23,24)
InChIKeyNIAPOVDFZNARJZ-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.86
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine

N-(3,4-dimethoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine (PubChem CID 11405758) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
PubChem CID11405758
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-(3,4-dimethoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
SMILESCOc1ccc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc1OC
InChIInChI=1S/C20H19N5O2/c1-13-16-12-21-20(23-15-9-10-17(26-2)18(11-15)27-3)24-25(16)19(22-13)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,23,24)
InChIKeyNIAPOVDFZNARJZ-UHFFFAOYSA-N
XLogP3.86
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine (CID 11405758) is N-(3,4-dimethoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine is COc1ccc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine?
The InChIKey is NIAPOVDFZNARJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13-16-12-21-20(23-15-9-10-17(26-2)18(11-15)27-3)24-25(16)19(22-13)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,23,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine?
N-(3,4-dimethoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine has a molecular weight of 361.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 11405758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).