tert-butyl pyrrolidine-1-carboxylate;5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C15H27N5O2 — CID 145316466

IUPACtert-butyl pyrrolidine-1-carboxylate;5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)OC(=O)N1CCCC1.CC1CNCc2nncn21
InChIInChI=1S/C9H17NO2.C6H10N4/c1-9(2,3)12-8(11)10-6-4-5-7-10;1-5-2-7-3-6-9-8-4-10(5)6/h4-7H2,1-3H3;4-5,7H,2-3H2,1H3
InChIKeyOQOLRUCJWZZBOJ-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.96
Rot. Bonds

About tert-butyl pyrrolidine-1-carboxylate;5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

tert-butyl pyrrolidine-1-carboxylate;5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 145316466) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl pyrrolidine-1-carboxylate;5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Nametert-butyl pyrrolidine-1-carboxylate;5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID145316466
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Nametert-butyl pyrrolidine-1-carboxylate;5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)OC(=O)N1CCCC1.CC1CNCc2nncn21
InChIInChI=1S/C9H17NO2.C6H10N4/c1-9(2,3)12-8(11)10-6-4-5-7-10;1-5-2-7-3-6-9-8-4-10(5)6/h4-7H2,1-3H3;4-5,7H,2-3H2,1H3
InChIKeyOQOLRUCJWZZBOJ-UHFFFAOYSA-N
XLogP1.96
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl pyrrolidine-1-carboxylate;5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of tert-butyl pyrrolidine-1-carboxylate;5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 145316466) is tert-butyl pyrrolidine-1-carboxylate;5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for tert-butyl pyrrolidine-1-carboxylate;5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for tert-butyl pyrrolidine-1-carboxylate;5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)(C)OC(=O)N1CCCC1.CC1CNCc2nncn21.
What is the InChIKey of tert-butyl pyrrolidine-1-carboxylate;5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is OQOLRUCJWZZBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C6H10N4/c1-9(2,3)12-8(11)10-6-4-5-7-10;1-5-2-7-3-6-9-8-4-10(5)6/h4-7H2,1-3H3;4-5,7H,2-3H2,1H3.
What are the key properties of tert-butyl pyrrolidine-1-carboxylate;5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
tert-butyl pyrrolidine-1-carboxylate;5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 309.41 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl pyrrolidine-1-carboxylate;5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 145316466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).