5-cyclobutyl-4-ethyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine

C20H20N10 — CID 66979593

IUPAC5-cyclobutyl-4-ethyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(-n3ccnc3-c3ncccn3)nc2N1C1CCC1
InChIInChI=1S/C20H20N10/c1-2-14-18-27-25-12-29(18)15-11-24-20(26-17(15)30(14)13-5-3-6-13)28-10-9-23-19(28)16-21-7-4-8-22-16/h4,7-14H,2-3,5-6H2,1H3
InChIKeyPHUSJKSZXBZEQT-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.52
Rot. Bonds4

About 5-cyclobutyl-4-ethyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine

5-cyclobutyl-4-ethyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 66979593) has the molecular formula C20H20N10 and a molecular weight of 400.45 g/mol. Its IUPAC name is 5-cyclobutyl-4-ethyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name5-cyclobutyl-4-ethyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID66979593
Molecular FormulaC20H20N10
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC Name5-cyclobutyl-4-ethyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(-n3ccnc3-c3ncccn3)nc2N1C1CCC1
InChIInChI=1S/C20H20N10/c1-2-14-18-27-25-12-29(18)15-11-24-20(26-17(15)30(14)13-5-3-6-13)28-10-9-23-19(28)16-21-7-4-8-22-16/h4,7-14H,2-3,5-6H2,1H3
InChIKeyPHUSJKSZXBZEQT-UHFFFAOYSA-N
XLogP2.52
TPSA103.33 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-4-ethyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of 5-cyclobutyl-4-ethyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 66979593) is 5-cyclobutyl-4-ethyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for 5-cyclobutyl-4-ethyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for 5-cyclobutyl-4-ethyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine is CCC1c2nncn2-c2cnc(-n3ccnc3-c3ncccn3)nc2N1C1CCC1.
What is the InChIKey of 5-cyclobutyl-4-ethyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is PHUSJKSZXBZEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N10/c1-2-14-18-27-25-12-29(18)15-11-24-20(26-17(15)30(14)13-5-3-6-13)28-10-9-23-19(28)16-21-7-4-8-22-16/h4,7-14H,2-3,5-6H2,1H3.
What are the key properties of 5-cyclobutyl-4-ethyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
5-cyclobutyl-4-ethyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 400.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-4-ethyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 66979593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).