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

C19H17N5O — CID 44589729

IUPACN-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
SMILESCOc1ccc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C19H17N5O/c1-13-17-12-20-19(22-15-8-10-16(25-2)11-9-15)23-24(17)18(21-13)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,22,23)
InChIKeyOOAGGWFWEDEIEG-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.85
Rot. Bonds4

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

N-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine (PubChem CID 44589729) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
PubChem CID44589729
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
SMILESCOc1ccc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C19H17N5O/c1-13-17-12-20-19(22-15-8-10-16(25-2)11-9-15)23-24(17)18(21-13)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,22,23)
InChIKeyOOAGGWFWEDEIEG-UHFFFAOYSA-N
XLogP3.85
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine (CID 44589729) is N-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine is COc1ccc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine?
The InChIKey is OOAGGWFWEDEIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-13-17-12-20-19(22-15-8-10-16(25-2)11-9-15)23-24(17)18(21-13)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,22,23).
What are the key properties of N-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine?
N-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine has a molecular weight of 331.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 44589729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).