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

C15H20F4N4O2 — CID 69362731

IUPACtert-butyl 8-[cyclopropyl(fluoro)methyl]-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)nc2C1C(F)C1CC1
InChIInChI=1S/C15H20F4N4O2/c1-14(2,3)25-13(24)22-6-7-23-11(10(22)9(16)8-4-5-8)20-12(21-23)15(17,18)19/h8-10H,4-7H2,1-3H3
InChIKeyXPZLGIBAEWGURM-UHFFFAOYSA-N
MW364.34 g/mol
LogP3.34
Rot. Bonds2

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

tert-butyl 8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate (PubChem CID 69362731) has the molecular formula C15H20F4N4O2 and a molecular weight of 364.34 g/mol. Its IUPAC name is tert-butyl 8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate
PubChem CID69362731
Molecular FormulaC15H20F4N4O2
Molecular Weight364.34 g/mol
Exact Mass364.15
IUPAC Nametert-butyl 8-[cyclopropyl(fluoro)methyl]-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)nc2C1C(F)C1CC1
InChIInChI=1S/C15H20F4N4O2/c1-14(2,3)25-13(24)22-6-7-23-11(10(22)9(16)8-4-5-8)20-12(21-23)15(17,18)19/h8-10H,4-7H2,1-3H3
InChIKeyXPZLGIBAEWGURM-UHFFFAOYSA-N
XLogP3.34
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate with MolForge

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Related Compounds

[7-N-(tert-Butoxycarbonyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-alpha]pyrazin-8-yl](cyclopropyl)methanol
CID 69364591
tert-butyl N-[(3S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-N-methylcarbamate
CID 96452890
tert-butyl N-{[6-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}carbamate
CID 119106373
Tert-butyl ((7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)carbamate
CID 119106378
7-(tert-Butoxycarbonyl)-5,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine
CID 24776940
7-(tert-Butoxycarbonyl)-5-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine
CID 24777309
tert-butyl (6R)-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 24777574
7-tert-Butoxycarbonyl-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine
CID 24777688
tert-Butyl 2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazine-7(8H)-carboxylate
CID 53393358
7-N-(tert-Butoxycarbonyl)-8-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-alpha]pyrazine
CID 69362722
7-N-(tert-Butoxycarbonyl)-8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-alpha]pyrazine
CID 69362856
7-N-(tert-Butoxycarbonyl)-8-[2-(dimethylamino)-2-oxoethyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-alpha]pyrazine
CID 69363279

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl 8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate (CID 69362731) is tert-butyl 8-[cyclopropyl(fluoro)methyl]-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-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl 8-[cyclopropyl(fluoro)methyl]-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)nc2C1C(F)C1CC1.
What is the InChIKey of tert-butyl 8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is XPZLGIBAEWGURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N4O2/c1-14(2,3)25-13(24)22-6-7-23-11(10(22)9(16)8-4-5-8)20-12(21-23)15(17,18)19/h8-10H,4-7H2,1-3H3.
What are the key properties of tert-butyl 8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate?
tert-butyl 8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 364.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 69362731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).