4-ethyl-7-(2-phenyl-4,5-dihydroimidazol-1-yl)-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine

C21H24N8 — CID 66979728

IUPAC4-ethyl-7-(2-phenyl-4,5-dihydroimidazol-1-yl)-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(N3CCN=C3c3ccccc3)nc2N1C(C)C
InChIInChI=1S/C21H24N8/c1-4-16-20-26-24-13-28(20)17-12-23-21(25-19(17)29(16)14(2)3)27-11-10-22-18(27)15-8-6-5-7-9-15/h5-9,12-14,16H,4,10-11H2,1-3H3
InChIKeyUHALSVZHHCFROV-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.00
Rot. Bonds4

About 4-ethyl-7-(2-phenyl-4,5-dihydroimidazol-1-yl)-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine

4-ethyl-7-(2-phenyl-4,5-dihydroimidazol-1-yl)-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 66979728) has the molecular formula C21H24N8 and a molecular weight of 388.48 g/mol. Its IUPAC name is 4-ethyl-7-(2-phenyl-4,5-dihydroimidazol-1-yl)-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name4-ethyl-7-(2-phenyl-4,5-dihydroimidazol-1-yl)-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID66979728
Molecular FormulaC21H24N8
Molecular Weight388.48 g/mol
Exact Mass388.21
IUPAC Name4-ethyl-7-(2-phenyl-4,5-dihydroimidazol-1-yl)-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(N3CCN=C3c3ccccc3)nc2N1C(C)C
InChIInChI=1S/C21H24N8/c1-4-16-20-26-24-13-28(20)17-12-23-21(25-19(17)29(16)14(2)3)27-11-10-22-18(27)15-8-6-5-7-9-15/h5-9,12-14,16H,4,10-11H2,1-3H3
InChIKeyUHALSVZHHCFROV-UHFFFAOYSA-N
XLogP3.00
TPSA75.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(7R)-7-ethyl-5-methyl-2-(2-phenyl-4,5-dihydroimidazol-1-yl)-8-propan-2-yl-7H-pteridin-6-one
CID 58405577
4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979936
2-[1-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)imidazol-2-yl]-1,3-thiazole
CID 66979817
(4R)-7-chloro-5-(1-cyclopropylethyl)-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87223274
(4R)-5-cyclopentyl-4-ethyl-7-(4-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979426
(4R)-5-cyclopentyl-4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499387
(4R)-4-ethyl-5-propan-2-yl-7-[4-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979585
(4R)-5-(cyclobutadienyl)-4-ethyl-7-(5-phenylpyrazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979719
(4R)-4-ethyl-5-(oxolan-3-yl)-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979484
methyl N-tert-butyl-N-[4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]carbamate
CID 123548116
5-[(4R)-4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-4-(4-fluorophenyl)-1,3-thiazole-2-carbonitrile
CID 67499705
(4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979801

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-(2-phenyl-4,5-dihydroimidazol-1-yl)-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of 4-ethyl-7-(2-phenyl-4,5-dihydroimidazol-1-yl)-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 66979728) is 4-ethyl-7-(2-phenyl-4,5-dihydroimidazol-1-yl)-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for 4-ethyl-7-(2-phenyl-4,5-dihydroimidazol-1-yl)-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for 4-ethyl-7-(2-phenyl-4,5-dihydroimidazol-1-yl)-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine is CCC1c2nncn2-c2cnc(N3CCN=C3c3ccccc3)nc2N1C(C)C.
What is the InChIKey of 4-ethyl-7-(2-phenyl-4,5-dihydroimidazol-1-yl)-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is UHALSVZHHCFROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8/c1-4-16-20-26-24-13-28(20)17-12-23-21(25-19(17)29(16)14(2)3)27-11-10-22-18(27)15-8-6-5-7-9-15/h5-9,12-14,16H,4,10-11H2,1-3H3.
What are the key properties of 4-ethyl-7-(2-phenyl-4,5-dihydroimidazol-1-yl)-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
4-ethyl-7-(2-phenyl-4,5-dihydroimidazol-1-yl)-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 388.48 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-(2-phenyl-4,5-dihydroimidazol-1-yl)-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 66979728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).