5-(3,3-difluorocyclobutyl)-4-ethyl-7-imidazol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine

C16H16F2N8 — CID 66979605

IUPAC5-(3,3-difluorocyclobutyl)-4-ethyl-7-imidazol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(-n3ccnc3)nc2N1C1CC(F)(F)C1
InChIInChI=1S/C16H16F2N8/c1-2-11-14-23-21-9-25(14)12-7-20-15(24-4-3-19-8-24)22-13(12)26(11)10-5-16(17,18)6-10/h3-4,7-11H,2,5-6H2,1H3
InChIKeyZZLKSRUNTURYDV-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.31
Rot. Bonds3

About 5-(3,3-difluorocyclobutyl)-4-ethyl-7-imidazol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine

5-(3,3-difluorocyclobutyl)-4-ethyl-7-imidazol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 66979605) has the molecular formula C16H16F2N8 and a molecular weight of 358.36 g/mol. Its IUPAC name is 5-(3,3-difluorocyclobutyl)-4-ethyl-7-imidazol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name5-(3,3-difluorocyclobutyl)-4-ethyl-7-imidazol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID66979605
Molecular FormulaC16H16F2N8
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC Name5-(3,3-difluorocyclobutyl)-4-ethyl-7-imidazol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(-n3ccnc3)nc2N1C1CC(F)(F)C1
InChIInChI=1S/C16H16F2N8/c1-2-11-14-23-21-9-25(14)12-7-20-15(24-4-3-19-8-24)22-13(12)26(11)10-5-16(17,18)6-10/h3-4,7-11H,2,5-6H2,1H3
InChIKeyZZLKSRUNTURYDV-UHFFFAOYSA-N
XLogP2.31
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluorocyclobutyl)-4-ethyl-7-imidazol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of 5-(3,3-difluorocyclobutyl)-4-ethyl-7-imidazol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 66979605) is 5-(3,3-difluorocyclobutyl)-4-ethyl-7-imidazol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for 5-(3,3-difluorocyclobutyl)-4-ethyl-7-imidazol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for 5-(3,3-difluorocyclobutyl)-4-ethyl-7-imidazol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine is CCC1c2nncn2-c2cnc(-n3ccnc3)nc2N1C1CC(F)(F)C1.
What is the InChIKey of 5-(3,3-difluorocyclobutyl)-4-ethyl-7-imidazol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is ZZLKSRUNTURYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N8/c1-2-11-14-23-21-9-25(14)12-7-20-15(24-4-3-19-8-24)22-13(12)26(11)10-5-16(17,18)6-10/h3-4,7-11H,2,5-6H2,1H3.
What are the key properties of 5-(3,3-difluorocyclobutyl)-4-ethyl-7-imidazol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
5-(3,3-difluorocyclobutyl)-4-ethyl-7-imidazol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 358.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluorocyclobutyl)-4-ethyl-7-imidazol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 66979605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).