5-(4-chlorophenyl)-7-[[1-(2-fluorophenyl)triazol-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-amine

C20H14ClFN8 — CID 134608219

IUPAC5-(4-chlorophenyl)-7-[[1-(2-fluorophenyl)triazol-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(Cc3cn(-c4ccccc4F)nn3)nc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C20H14ClFN8/c21-13-7-5-12(6-8-13)18-19-20(23)24-11-25-30(19)17(26-18)9-14-10-29(28-27-14)16-4-2-1-3-15(16)22/h1-8,10-11H,9H2,(H2,23,24,25)
InChIKeyYDMAZLXSXSUNFB-UHFFFAOYSA-N
MW420.84 g/mol
LogP3.34
Rot. Bonds4

About 5-(4-chlorophenyl)-7-[[1-(2-fluorophenyl)triazol-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-amine

5-(4-chlorophenyl)-7-[[1-(2-fluorophenyl)triazol-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-amine (PubChem CID 134608219) has the molecular formula C20H14ClFN8 and a molecular weight of 420.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-[[1-(2-fluorophenyl)triazol-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-[[1-(2-fluorophenyl)triazol-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-amine
PubChem CID134608219
Molecular FormulaC20H14ClFN8
Molecular Weight420.84 g/mol
Exact Mass420.10
IUPAC Name5-(4-chlorophenyl)-7-[[1-(2-fluorophenyl)triazol-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(Cc3cn(-c4ccccc4F)nn3)nc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C20H14ClFN8/c21-13-7-5-12(6-8-13)18-19-20(23)24-11-25-30(19)17(26-18)9-14-10-29(28-27-14)16-4-2-1-3-15(16)22/h1-8,10-11H,9H2,(H2,23,24,25)
InChIKeyYDMAZLXSXSUNFB-UHFFFAOYSA-N
XLogP3.34
TPSA99.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.84
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-[[1-(2-fluorophenyl)triazol-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-7-[[1-(2-fluorophenyl)triazol-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-amine (CID 134608219) is 5-(4-chlorophenyl)-7-[[1-(2-fluorophenyl)triazol-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-7-[[1-(2-fluorophenyl)triazol-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-7-[[1-(2-fluorophenyl)triazol-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(Cc3cn(-c4ccccc4F)nn3)nc(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 5-(4-chlorophenyl)-7-[[1-(2-fluorophenyl)triazol-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-amine?
The InChIKey is YDMAZLXSXSUNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN8/c21-13-7-5-12(6-8-13)18-19-20(23)24-11-25-30(19)17(26-18)9-14-10-29(28-27-14)16-4-2-1-3-15(16)22/h1-8,10-11H,9H2,(H2,23,24,25).
What are the key properties of 5-(4-chlorophenyl)-7-[[1-(2-fluorophenyl)triazol-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-amine?
5-(4-chlorophenyl)-7-[[1-(2-fluorophenyl)triazol-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-amine has a molecular weight of 420.84 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-[[1-(2-fluorophenyl)triazol-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 134608219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).