3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

C10H10F3N5 — CID 165432242

IUPAC3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nnc2c(N3CC(C(F)(F)F)C3)nccn12
InChIInChI=1S/C10H10F3N5/c1-6-15-16-9-8(14-2-3-18(6)9)17-4-7(5-17)10(11,12)13/h2-3,7H,4-5H2,1H3
InChIKeyVKCNSFBKXCPCHK-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.43
Rot. Bonds1

About 3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 165432242) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID165432242
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC Name3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nnc2c(N3CC(C(F)(F)F)C3)nccn12
InChIInChI=1S/C10H10F3N5/c1-6-15-16-9-8(14-2-3-18(6)9)17-4-7(5-17)10(11,12)13/h2-3,7H,4-5H2,1H3
InChIKeyVKCNSFBKXCPCHK-UHFFFAOYSA-N
XLogP1.43
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 165432242) is 3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is Cc1nnc2c(N3CC(C(F)(F)F)C3)nccn12.
What is the InChIKey of 3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is VKCNSFBKXCPCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c1-6-15-16-9-8(14-2-3-18(6)9)17-4-7(5-17)10(11,12)13/h2-3,7H,4-5H2,1H3.
What are the key properties of 3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 257.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 165432242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).