7-(6-chloro-5-methylpyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C11H10ClF3N6 — CID 64577380

IUPAC7-(6-chloro-5-methylpyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1c(Cl)ncnc1N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H10ClF3N6/c1-6-8(12)16-5-17-9(6)20-2-3-21-7(4-20)18-19-10(21)11(13,14)15/h5H,2-4H2,1H3
InChIKeyKAGTZHATJHKNDB-UHFFFAOYSA-N
MW318.69 g/mol
LogP2.07
Rot. Bonds1

About 7-(6-chloro-5-methylpyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-(6-chloro-5-methylpyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 64577380) has the molecular formula C11H10ClF3N6 and a molecular weight of 318.69 g/mol. Its IUPAC name is 7-(6-chloro-5-methylpyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(6-chloro-5-methylpyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID64577380
Molecular FormulaC11H10ClF3N6
Molecular Weight318.69 g/mol
Exact Mass318.06
IUPAC Name7-(6-chloro-5-methylpyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1c(Cl)ncnc1N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H10ClF3N6/c1-6-8(12)16-5-17-9(6)20-2-3-21-7(4-20)18-19-10(21)11(13,14)15/h5H,2-4H2,1H3
InChIKeyKAGTZHATJHKNDB-UHFFFAOYSA-N
XLogP2.07
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.69
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(6-chloro-5-methylpyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[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 7-(6-chloro-5-methylpyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(6-chloro-5-methylpyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 64577380) is 7-(6-chloro-5-methylpyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(6-chloro-5-methylpyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(6-chloro-5-methylpyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Cc1c(Cl)ncnc1N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 7-(6-chloro-5-methylpyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KAGTZHATJHKNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N6/c1-6-8(12)16-5-17-9(6)20-2-3-21-7(4-20)18-19-10(21)11(13,14)15/h5H,2-4H2,1H3.
What are the key properties of 7-(6-chloro-5-methylpyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(6-chloro-5-methylpyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 318.69 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-chloro-5-methylpyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 64577380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).