tert-butyl 8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate

C15H21F3N4O2 — CID 69362856

IUPACtert-butyl 8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2nc(C(F)(F)F)nc2C1CC1CC1
InChIInChI=1S/C15H21F3N4O2/c1-14(2,3)24-13(23)21-6-7-22-11(10(21)8-9-4-5-9)19-12(20-22)15(16,17)18/h9-10H,4-8H2,1-3H3
InChIKeyDXNAWJRMCVHTGU-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.39
Rot. Bonds2

About tert-butyl 8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate

tert-butyl 8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate (PubChem CID 69362856) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is tert-butyl 8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate
PubChem CID69362856
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Nametert-butyl 8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2nc(C(F)(F)F)nc2C1CC1CC1
InChIInChI=1S/C15H21F3N4O2/c1-14(2,3)24-13(23)21-6-7-22-11(10(21)8-9-4-5-9)19-12(20-22)15(16,17)18/h9-10H,4-8H2,1-3H3
InChIKeyDXNAWJRMCVHTGU-UHFFFAOYSA-N
XLogP3.39
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate 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 tert-butyl 8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl 8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate (CID 69362856) is tert-butyl 8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for tert-butyl 8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl 8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate is CC(C)(C)OC(=O)N1CCn2nc(C(F)(F)F)nc2C1CC1CC1.
What is the InChIKey of tert-butyl 8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is DXNAWJRMCVHTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-14(2,3)24-13(23)21-6-7-22-11(10(21)8-9-4-5-9)19-12(20-22)15(16,17)18/h9-10H,4-8H2,1-3H3.
What are the key properties of tert-butyl 8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate?
tert-butyl 8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 346.35 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 69362856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).