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

C21H26N6 — CID 141194013

IUPAC(4R)-2-benzyl-5-cyclopentyl-4-ethyl-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1C2=NN(Cc3ccccc3)CN2c2cncnc2N1C1CCCC1
InChIInChI=1S/C21H26N6/c1-2-18-21-24-25(13-16-8-4-3-5-9-16)15-26(21)19-12-22-14-23-20(19)27(18)17-10-6-7-11-17/h3-5,8-9,12,14,17-18H,2,6-7,10-11,13,15H2,1H3/t18-/m1/s1
InChIKeyLOWKWNJTORCTSN-GOSISDBHSA-N
MW362.48 g/mol
LogP3.61
Rot. Bonds4

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

(4R)-2-benzyl-5-cyclopentyl-4-ethyl-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 141194013) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is (4R)-2-benzyl-5-cyclopentyl-4-ethyl-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name(4R)-2-benzyl-5-cyclopentyl-4-ethyl-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID141194013
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name(4R)-2-benzyl-5-cyclopentyl-4-ethyl-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1C2=NN(Cc3ccccc3)CN2c2cncnc2N1C1CCCC1
InChIInChI=1S/C21H26N6/c1-2-18-21-24-25(13-16-8-4-3-5-9-16)15-26(21)19-12-22-14-23-20(19)27(18)17-10-6-7-11-17/h3-5,8-9,12,14,17-18H,2,6-7,10-11,13,15H2,1H3/t18-/m1/s1
InChIKeyLOWKWNJTORCTSN-GOSISDBHSA-N
XLogP3.61
TPSA47.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-cyclopentyl-4-ethyl-2-(1-phenylethyl)-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine
CID 66713348
5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 123214877
7-phenyl-9-pyridin-4-yl-8H-purine
CID 58556344
8-cyclopentyl-7-ethyl-2-(2-phenylacetyl)-5,7-dihydropteridin-6-one
CID 123541097
5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-amine
CID 77151093
(6R)-3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine
CID 59286705
2-benzyl-6-methyl-4,5-dihydro-3H-pyridazine
CID 86227815
4-(4-benzylpiperidin-1-yl)pyrimidin-5-amine
CID 79918295
4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine
CID 130167475
5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 158045627
10-[(1-benzylpiperidin-2-yl)methyl]-7,8-dimethyl-5H-benzo[g]pteridine
CID 141285019
4-(2-ethylpiperidin-1-yl)pyrimidin-5-amine
CID 79915702

Frequently Asked Questions

What is the IUPAC name of (4R)-2-benzyl-5-cyclopentyl-4-ethyl-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of (4R)-2-benzyl-5-cyclopentyl-4-ethyl-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine (CID 141194013) is (4R)-2-benzyl-5-cyclopentyl-4-ethyl-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for (4R)-2-benzyl-5-cyclopentyl-4-ethyl-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for (4R)-2-benzyl-5-cyclopentyl-4-ethyl-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine is CC[C@@H]1C2=NN(Cc3ccccc3)CN2c2cncnc2N1C1CCCC1.
What is the InChIKey of (4R)-2-benzyl-5-cyclopentyl-4-ethyl-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is LOWKWNJTORCTSN-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N6/c1-2-18-21-24-25(13-16-8-4-3-5-9-16)15-26(21)19-12-22-14-23-20(19)27(18)17-10-6-7-11-17/h3-5,8-9,12,14,17-18H,2,6-7,10-11,13,15H2,1H3/t18-/m1/s1.
What are the key properties of (4R)-2-benzyl-5-cyclopentyl-4-ethyl-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine?
(4R)-2-benzyl-5-cyclopentyl-4-ethyl-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 362.48 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-benzyl-5-cyclopentyl-4-ethyl-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 141194013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).