5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine

C14H18N6 — CID 123214877

IUPAC5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cncnc2N1C1CCCC1
InChIInChI=1S/C14H18N6/c1-2-11-14-18-17-9-19(14)12-7-15-8-16-13(12)20(11)10-5-3-4-6-10/h7-11H,2-6H2,1H3
InChIKeyZGBUWHJSAXSQDY-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.27
Rot. Bonds2

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

5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 123214877) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID123214877
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cncnc2N1C1CCCC1
InChIInChI=1S/C14H18N6/c1-2-11-14-18-17-9-19(14)12-7-15-8-16-13(12)20(11)10-5-3-4-6-10/h7-11H,2-6H2,1H3
InChIKeyZGBUWHJSAXSQDY-UHFFFAOYSA-N
XLogP2.27
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.27
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-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of 5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 123214877) is 5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for 5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for 5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine is CCC1c2nncn2-c2cncnc2N1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is ZGBUWHJSAXSQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-2-11-14-18-17-9-19(14)12-7-15-8-16-13(12)20(11)10-5-3-4-6-10/h7-11H,2-6H2,1H3.
What are the key properties of 5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine?
5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 270.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 123214877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).