5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine

C23H28N6 — CID 158045627

IUPAC5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(CC(C)c3ccccc3)nc2N1C1CCCC1
InChIInChI=1S/C23H28N6/c1-3-19-23-27-25-15-28(23)20-14-24-21(13-16(2)17-9-5-4-6-10-17)26-22(20)29(19)18-11-7-8-12-18/h4-6,9-10,14-16,18-19H,3,7-8,11-13H2,1-2H3
InChIKeyGAVGLHQOKZZMHD-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.62
Rot. Bonds5

About 5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine

5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 158045627) has the molecular formula C23H28N6 and a molecular weight of 388.52 g/mol. Its IUPAC name is 5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID158045627
Molecular FormulaC23H28N6
Molecular Weight388.52 g/mol
Exact Mass388.24
IUPAC Name5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(CC(C)c3ccccc3)nc2N1C1CCCC1
InChIInChI=1S/C23H28N6/c1-3-19-23-27-25-15-28(23)20-14-24-21(13-16(2)17-9-5-4-6-10-17)26-22(20)29(19)18-11-7-8-12-18/h4-6,9-10,14-16,18-19H,3,7-8,11-13H2,1-2H3
InChIKeyGAVGLHQOKZZMHD-UHFFFAOYSA-N
XLogP4.62
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of 5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 158045627) is 5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for 5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for 5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine is CCC1c2nncn2-c2cnc(CC(C)c3ccccc3)nc2N1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is GAVGLHQOKZZMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6/c1-3-19-23-27-25-15-28(23)20-14-24-21(13-16(2)17-9-5-4-6-10-17)26-22(20)29(19)18-11-7-8-12-18/h4-6,9-10,14-16,18-19H,3,7-8,11-13H2,1-2H3.
What are the key properties of 5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 388.52 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 158045627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).