[4-[4-amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methanol

C24H25N5O2 — CID 44539195

IUPAC[4-[4-amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methanol
SMILESNc1ncnn2c(C3CCC(CO)CC3)nc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C24H25N5O2/c25-23-22-21(17-10-12-20(13-11-17)31-19-4-2-1-3-5-19)28-24(29(22)27-15-26-23)18-8-6-16(14-30)7-9-18/h1-5,10-13,15-16,18,30H,6-9,14H2,(H2,25,26,27)
InChIKeyXVMYWCOUGUFFSM-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.43
Rot. Bonds5

About [4-[4-amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methanol

[4-[4-amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methanol (PubChem CID 44539195) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is [4-[4-amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[4-amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methanol
PubChem CID44539195
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name[4-[4-amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methanol
SMILESNc1ncnn2c(C3CCC(CO)CC3)nc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C24H25N5O2/c25-23-22-21(17-10-12-20(13-11-17)31-19-4-2-1-3-5-19)28-24(29(22)27-15-26-23)18-8-6-16(14-30)7-9-18/h1-5,10-13,15-16,18,30H,6-9,14H2,(H2,25,26,27)
InChIKeyXVMYWCOUGUFFSM-UHFFFAOYSA-N
XLogP4.43
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[4-amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methanol?
The IUPAC name of [4-[4-amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methanol (CID 44539195) is [4-[4-amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methanol.
What is the SMILES notation for [4-[4-amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methanol?
The canonical SMILES for [4-[4-amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methanol is Nc1ncnn2c(C3CCC(CO)CC3)nc(-c3ccc(Oc4ccccc4)cc3)c12.
What is the InChIKey of [4-[4-amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methanol?
The InChIKey is XVMYWCOUGUFFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c25-23-22-21(17-10-12-20(13-11-17)31-19-4-2-1-3-5-19)28-24(29(22)27-15-26-23)18-8-6-16(14-30)7-9-18/h1-5,10-13,15-16,18,30H,6-9,14H2,(H2,25,26,27).
What are the key properties of [4-[4-amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methanol?
[4-[4-amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methanol has a molecular weight of 415.50 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methanol is sourced from PubChem (CID 44539195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).