3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C9H9F2N5 — CID 138684317

IUPAC3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CC(F)(F)C3)nnc12
InChIInChI=1S/C9H9F2N5/c10-9(11)3-5(4-9)7-14-15-8-6(12)13-1-2-16(7)8/h1-2,5H,3-4H2,(H2,12,13)
InChIKeyRMVQOFURHXIBFG-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.22
Rot. Bonds1

About 3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 138684317) has the molecular formula C9H9F2N5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID138684317
Molecular FormulaC9H9F2N5
Molecular Weight225.20 g/mol
Exact Mass225.08
IUPAC Name3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CC(F)(F)C3)nnc12
InChIInChI=1S/C9H9F2N5/c10-9(11)3-5(4-9)7-14-15-8-6(12)13-1-2-16(7)8/h1-2,5H,3-4H2,(H2,12,13)
InChIKeyRMVQOFURHXIBFG-UHFFFAOYSA-N
XLogP1.22
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 138684317) is 3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Nc1nccn2c(C3CC(F)(F)C3)nnc12.
What is the InChIKey of 3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is RMVQOFURHXIBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N5/c10-9(11)3-5(4-9)7-14-15-8-6(12)13-1-2-16(7)8/h1-2,5H,3-4H2,(H2,12,13).
What are the key properties of 3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 225.20 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 138684317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).