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

C24H27N5O — CID 70936936

IUPAC7-heptyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCCCCCCCc1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnn12
InChIInChI=1S/C24H27N5O/c1-2-3-4-5-9-12-21-28-22(23-24(25)26-17-27-29(21)23)18-13-15-20(16-14-18)30-19-10-7-6-8-11-19/h6-8,10-11,13-17H,2-5,9,12H2,1H3,(H2,25,26,27)
InChIKeyHZPJRZPNPHYULP-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.68
Rot. Bonds9

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

7-heptyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine (PubChem CID 70936936) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 7-heptyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-heptyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
PubChem CID70936936
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name7-heptyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCCCCCCCc1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnn12
InChIInChI=1S/C24H27N5O/c1-2-3-4-5-9-12-21-28-22(23-24(25)26-17-27-29(21)23)18-13-15-20(16-14-18)30-19-10-7-6-8-11-19/h6-8,10-11,13-17H,2-5,9,12H2,1H3,(H2,25,26,27)
InChIKeyHZPJRZPNPHYULP-UHFFFAOYSA-N
XLogP5.68
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]pyrrolidine-1-carbonitrile
CID 118861491
3-(4-aminophenyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44538701
5-butyl-1-(4-phenoxyphenyl)-3-(4-propoxyphenyl)-1,2,4-triazole
CID 166631554
3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44538805
5-bromo-2-octyl-6-phenoxypyrimidin-4-amine
CID 154106999
but-3-en-2-one;3-(3-methylnonan-5-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 142288978
3-(furan-3-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44538803
2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
CID 135621952
2-nonyl-3-(4-phenylphenoxy)pyrazine
CID 20979288
3-[4-amino-5-(2-methoxy-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol
CID 69017746
1-pentadecyl-2-phenoxybenzene
CID 101290758
7-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 156857303

Frequently Asked Questions

What is the IUPAC name of 7-heptyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-heptyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine (CID 70936936) is 7-heptyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-heptyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-heptyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine is CCCCCCCc1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnn12.
What is the InChIKey of 7-heptyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The InChIKey is HZPJRZPNPHYULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-2-3-4-5-9-12-21-28-22(23-24(25)26-17-27-29(21)23)18-13-15-20(16-14-18)30-19-10-7-6-8-11-19/h6-8,10-11,13-17H,2-5,9,12H2,1H3,(H2,25,26,27).
What are the key properties of 7-heptyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
7-heptyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine has a molecular weight of 401.51 g/mol, XLogP of 5.68, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-heptyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 70936936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).