8-tert-butyl-3-(5-methyloxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C14H24N4O — CID 102792076

IUPAC8-tert-butyl-3-(5-methyloxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1CCC(c2nnc3n2CCNC3C(C)(C)C)O1
InChIInChI=1S/C14H24N4O/c1-9-5-6-10(19-9)12-16-17-13-11(14(2,3)4)15-7-8-18(12)13/h9-11,15H,5-8H2,1-4H3
InChIKeyMIRMNTMPXJEEAC-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.21
Rot. Bonds1

About 8-tert-butyl-3-(5-methyloxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

8-tert-butyl-3-(5-methyloxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102792076) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 8-tert-butyl-3-(5-methyloxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-tert-butyl-3-(5-methyloxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102792076
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name8-tert-butyl-3-(5-methyloxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1CCC(c2nnc3n2CCNC3C(C)(C)C)O1
InChIInChI=1S/C14H24N4O/c1-9-5-6-10(19-9)12-16-17-13-11(14(2,3)4)15-7-8-18(12)13/h9-11,15H,5-8H2,1-4H3
InChIKeyMIRMNTMPXJEEAC-UHFFFAOYSA-N
XLogP2.21
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-(5-methyloxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-tert-butyl-3-(5-methyloxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102792076) is 8-tert-butyl-3-(5-methyloxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-tert-butyl-3-(5-methyloxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-tert-butyl-3-(5-methyloxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC1CCC(c2nnc3n2CCNC3C(C)(C)C)O1.
What is the InChIKey of 8-tert-butyl-3-(5-methyloxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is MIRMNTMPXJEEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-9-5-6-10(19-9)12-16-17-13-11(14(2,3)4)15-7-8-18(12)13/h9-11,15H,5-8H2,1-4H3.
What are the key properties of 8-tert-butyl-3-(5-methyloxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-tert-butyl-3-(5-methyloxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 264.37 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-(5-methyloxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102792076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).