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

C24H20N6 — CID 11502053

IUPAC7-cyclobutyl-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(C3CCC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C24H20N6/c25-23-22-21(29-24(17-7-4-8-17)30(22)27-14-26-23)18-10-9-16-11-12-19(28-20(16)13-18)15-5-2-1-3-6-15/h1-3,5-6,9-14,17H,4,7-8H2,(H2,25,26,27)
InChIKeyBHTAGACZYNRXNC-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.86
Rot. Bonds3

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

7-cyclobutyl-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine (PubChem CID 11502053) has the molecular formula C24H20N6 and a molecular weight of 392.47 g/mol. Its IUPAC name is 7-cyclobutyl-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-cyclobutyl-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine
PubChem CID11502053
Molecular FormulaC24H20N6
Molecular Weight392.47 g/mol
Exact Mass392.17
IUPAC Name7-cyclobutyl-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(C3CCC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C24H20N6/c25-23-22-21(29-24(17-7-4-8-17)30(22)27-14-26-23)18-10-9-16-11-12-19(28-20(16)13-18)15-5-2-1-3-6-15/h1-3,5-6,9-14,17H,4,7-8H2,(H2,25,26,27)
InChIKeyBHTAGACZYNRXNC-UHFFFAOYSA-N
XLogP4.86
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-cyclobutyl-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine (CID 11502053) is 7-cyclobutyl-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-cyclobutyl-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-cyclobutyl-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(C3CCC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of 7-cyclobutyl-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The InChIKey is BHTAGACZYNRXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6/c25-23-22-21(29-24(17-7-4-8-17)30(22)27-14-26-23)18-10-9-16-11-12-19(28-20(16)13-18)15-5-2-1-3-6-15/h1-3,5-6,9-14,17H,4,7-8H2,(H2,25,26,27).
What are the key properties of 7-cyclobutyl-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine?
7-cyclobutyl-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine has a molecular weight of 392.47 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 11502053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).