5-cyclopentyl-4-ethyl-2-(1-phenylethyl)-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine

C22H28N6 — CID 66713348

IUPAC5-cyclopentyl-4-ethyl-2-(1-phenylethyl)-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1C2=NN(C(C)c3ccccc3)CN2c2cncnc2N1C1CCCC1
InChIInChI=1S/C22H28N6/c1-3-19-22-25-27(16(2)17-9-5-4-6-10-17)15-26(22)20-13-23-14-24-21(20)28(19)18-11-7-8-12-18/h4-6,9-10,13-14,16,18-19H,3,7-8,11-12,15H2,1-2H3
InChIKeyHMJSCWONVDUFGH-UHFFFAOYSA-N
MW376.51 g/mol
LogP4.17
Rot. Bonds4

About 5-cyclopentyl-4-ethyl-2-(1-phenylethyl)-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine

5-cyclopentyl-4-ethyl-2-(1-phenylethyl)-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 66713348) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is 5-cyclopentyl-4-ethyl-2-(1-phenylethyl)-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name5-cyclopentyl-4-ethyl-2-(1-phenylethyl)-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID66713348
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name5-cyclopentyl-4-ethyl-2-(1-phenylethyl)-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1C2=NN(C(C)c3ccccc3)CN2c2cncnc2N1C1CCCC1
InChIInChI=1S/C22H28N6/c1-3-19-22-25-27(16(2)17-9-5-4-6-10-17)15-26(22)20-13-23-14-24-21(20)28(19)18-11-7-8-12-18/h4-6,9-10,13-14,16,18-19H,3,7-8,11-12,15H2,1-2H3
InChIKeyHMJSCWONVDUFGH-UHFFFAOYSA-N
XLogP4.17
TPSA47.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-cyclopentyl-4-ethyl-2-(1-phenylethyl)-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine with MolForge

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Related Compounds

(4R)-2-benzyl-5-cyclopentyl-4-ethyl-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine
CID 141194013
5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 123214877
5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 158045627
7-phenyl-9-pyridin-4-yl-8H-purine
CID 58556344
1-cyclopentyl-5-(2-phenylpropyl)-4,5-dihydroimidazol-2-amine
CID 79521295
7-(2-methylphenyl)-9-phenyl-8H-purine
CID 58556269
(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979399
5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-amine
CID 77151093
5-cyclopentyl-4-ethyl-1-methyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67498738
(4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979564
(7R)-8-cyclopentyl-7-ethyl-2-(1H-indol-2-yl)-5-methyl-7H-pteridin-6-one
CID 67261404
(6R)-3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine
CID 59286705

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-ethyl-2-(1-phenylethyl)-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of 5-cyclopentyl-4-ethyl-2-(1-phenylethyl)-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine (CID 66713348) is 5-cyclopentyl-4-ethyl-2-(1-phenylethyl)-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for 5-cyclopentyl-4-ethyl-2-(1-phenylethyl)-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for 5-cyclopentyl-4-ethyl-2-(1-phenylethyl)-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine is CCC1C2=NN(C(C)c3ccccc3)CN2c2cncnc2N1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-4-ethyl-2-(1-phenylethyl)-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is HMJSCWONVDUFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-3-19-22-25-27(16(2)17-9-5-4-6-10-17)15-26(22)20-13-23-14-24-21(20)28(19)18-11-7-8-12-18/h4-6,9-10,13-14,16,18-19H,3,7-8,11-12,15H2,1-2H3.
What are the key properties of 5-cyclopentyl-4-ethyl-2-(1-phenylethyl)-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine?
5-cyclopentyl-4-ethyl-2-(1-phenylethyl)-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 376.51 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-ethyl-2-(1-phenylethyl)-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 66713348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).