7-cyclobutyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine

C21H19N5O — CID 44539287

IUPAC7-cyclobutyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(C3CCC3)nc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C21H19N5O/c22-20-19-18(25-21(15-5-4-6-15)26(19)24-13-23-20)14-9-11-17(12-10-14)27-16-7-2-1-3-8-16/h1-3,7-13,15H,4-6H2,(H2,22,23,24)
InChIKeyBXZICJTYDLVXEI-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.43
Rot. Bonds4

About 7-cyclobutyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine

7-cyclobutyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine (PubChem CID 44539287) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 7-cyclobutyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-cyclobutyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
PubChem CID44539287
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name7-cyclobutyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(C3CCC3)nc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C21H19N5O/c22-20-19-18(25-21(15-5-4-6-15)26(19)24-13-23-20)14-9-11-17(12-10-14)27-16-7-2-1-3-8-16/h1-3,7-13,15H,4-6H2,(H2,22,23,24)
InChIKeyBXZICJTYDLVXEI-UHFFFAOYSA-N
XLogP4.43
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-cyclobutyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine (CID 44539287) is 7-cyclobutyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-cyclobutyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-cyclobutyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(C3CCC3)nc(-c3ccc(Oc4ccccc4)cc3)c12.
What is the InChIKey of 7-cyclobutyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The InChIKey is BXZICJTYDLVXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c22-20-19-18(25-21(15-5-4-6-15)26(19)24-13-23-20)14-9-11-17(12-10-14)27-16-7-2-1-3-8-16/h1-3,7-13,15H,4-6H2,(H2,22,23,24).
What are the key properties of 7-cyclobutyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
7-cyclobutyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine has a molecular weight of 357.42 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 44539287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).