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

C14H26N4O — CID 103028652

IUPAC8-tert-butyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC(C)(C)Cc1nnc2n1CCNC2C(C)(C)C
InChIInChI=1S/C14H26N4O/c1-13(2,3)11-12-17-16-10(9-14(4,5)19-6)18(12)8-7-15-11/h11,15H,7-9H2,1-6H3
InChIKeyUROSCTPRHLBLNJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.94
Rot. Bonds3

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

8-tert-butyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 103028652) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 8-tert-butyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-tert-butyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID103028652
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name8-tert-butyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC(C)(C)Cc1nnc2n1CCNC2C(C)(C)C
InChIInChI=1S/C14H26N4O/c1-13(2,3)11-12-17-16-10(9-14(4,5)19-6)18(12)8-7-15-11/h11,15H,7-9H2,1-6H3
InChIKeyUROSCTPRHLBLNJ-UHFFFAOYSA-N
XLogP1.94
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.94
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-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-tert-butyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 103028652) is 8-tert-butyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-tert-butyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-tert-butyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is COC(C)(C)Cc1nnc2n1CCNC2C(C)(C)C.
What is the InChIKey of 8-tert-butyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is UROSCTPRHLBLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-13(2,3)11-12-17-16-10(9-14(4,5)19-6)18(12)8-7-15-11/h11,15H,7-9H2,1-6H3.
What are the key properties of 8-tert-butyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-tert-butyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 266.39 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 103028652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).