5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine

C13H17N7 — CID 141194019

IUPAC5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
SMILESCCC1c2nncn2-c2cnc(N)nc2N1C1CCC1
InChIInChI=1S/C13H17N7/c1-2-9-12-18-16-7-19(12)10-6-15-13(14)17-11(10)20(9)8-4-3-5-8/h6-9H,2-5H2,1H3,(H2,14,15,17)
InChIKeyCZBFTTXJZVTJON-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.46
Rot. Bonds2

About 5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine

5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine (PubChem CID 141194019) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is 5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine.

Molecular Properties

Compound Name5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
PubChem CID141194019
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
SMILESCCC1c2nncn2-c2cnc(N)nc2N1C1CCC1
InChIInChI=1S/C13H17N7/c1-2-9-12-18-16-7-19(12)10-6-15-13(14)17-11(10)20(9)8-4-3-5-8/h6-9H,2-5H2,1H3,(H2,14,15,17)
InChIKeyCZBFTTXJZVTJON-UHFFFAOYSA-N
XLogP1.46
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine?
The IUPAC name of 5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine (CID 141194019) is 5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine.
What is the SMILES notation for 5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine?
The canonical SMILES for 5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine is CCC1c2nncn2-c2cnc(N)nc2N1C1CCC1.
What is the InChIKey of 5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine?
The InChIKey is CZBFTTXJZVTJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c1-2-9-12-18-16-7-19(12)10-6-15-13(14)17-11(10)20(9)8-4-3-5-8/h6-9H,2-5H2,1H3,(H2,14,15,17).
What are the key properties of 5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine?
5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine has a molecular weight of 271.33 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine is sourced from PubChem (CID 141194019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).