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

C13H24N4O — CID 103028662

IUPAC3-(2-methoxy-2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCC1NCCn2c(CC(C)(C)OC)nnc21
InChIInChI=1S/C13H24N4O/c1-5-6-10-12-16-15-11(9-13(2,3)18-4)17(12)8-7-14-10/h10,14H,5-9H2,1-4H3
InChIKeyIRXFRRQWQQTBBB-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.69
Rot. Bonds5

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

3-(2-methoxy-2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 103028662) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(2-methoxy-2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2-methoxy-2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID103028662
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-(2-methoxy-2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCC1NCCn2c(CC(C)(C)OC)nnc21
InChIInChI=1S/C13H24N4O/c1-5-6-10-12-16-15-11(9-13(2,3)18-4)17(12)8-7-14-10/h10,14H,5-9H2,1-4H3
InChIKeyIRXFRRQWQQTBBB-UHFFFAOYSA-N
XLogP1.69
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-methoxy-2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2-methoxy-2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 103028662) is 3-(2-methoxy-2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(2-methoxy-2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2-methoxy-2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCCC1NCCn2c(CC(C)(C)OC)nnc21.
What is the InChIKey of 3-(2-methoxy-2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is IRXFRRQWQQTBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-6-10-12-16-15-11(9-13(2,3)18-4)17(12)8-7-14-10/h10,14H,5-9H2,1-4H3.
What are the key properties of 3-(2-methoxy-2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2-methoxy-2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 252.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 103028662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).