5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine

C19H21F3N8 — CID 67499624

IUPAC5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nnc(C)n2-c2cnc(-n3ccnc3C(F)(F)F)nc2N1C1CCCC1
InChIInChI=1S/C19H21F3N8/c1-3-13-16-27-26-11(2)29(16)14-10-24-18(28-9-8-23-17(28)19(20,21)22)25-15(14)30(13)12-6-4-5-7-12/h8-10,12-13H,3-7H2,1-2H3
InChIKeyWOZUTJFLENBVRC-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.78
Rot. Bonds3

About 5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine

5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 67499624) has the molecular formula C19H21F3N8 and a molecular weight of 418.43 g/mol. Its IUPAC name is 5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID67499624
Molecular FormulaC19H21F3N8
Molecular Weight418.43 g/mol
Exact Mass418.18
IUPAC Name5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nnc(C)n2-c2cnc(-n3ccnc3C(F)(F)F)nc2N1C1CCCC1
InChIInChI=1S/C19H21F3N8/c1-3-13-16-27-26-11(2)29(16)14-10-24-18(28-9-8-23-17(28)19(20,21)22)25-15(14)30(13)12-6-4-5-7-12/h8-10,12-13H,3-7H2,1-2H3
InChIKeyWOZUTJFLENBVRC-UHFFFAOYSA-N
XLogP3.78
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of 5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 67499624) is 5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for 5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for 5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine is CCC1c2nnc(C)n2-c2cnc(-n3ccnc3C(F)(F)F)nc2N1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is WOZUTJFLENBVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N8/c1-3-13-16-27-26-11(2)29(16)14-10-24-18(28-9-8-23-17(28)19(20,21)22)25-15(14)30(13)12-6-4-5-7-12/h8-10,12-13H,3-7H2,1-2H3.
What are the key properties of 5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?
5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 418.43 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 67499624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).