8-methyl-3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C11H18N4O — CID 63015107

IUPAC8-methyl-3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1NCCn2c(C3CCCOC3)nnc21
InChIInChI=1S/C11H18N4O/c1-8-10-13-14-11(15(10)5-4-12-8)9-3-2-6-16-7-9/h8-9,12H,2-7H2,1H3
InChIKeyKCPCQXQYEPLDTJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.84
Rot. Bonds1

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

8-methyl-3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 63015107) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 8-methyl-3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-methyl-3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID63015107
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name8-methyl-3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1NCCn2c(C3CCCOC3)nnc21
InChIInChI=1S/C11H18N4O/c1-8-10-13-14-11(15(10)5-4-12-8)9-3-2-6-16-7-9/h8-9,12H,2-7H2,1H3
InChIKeyKCPCQXQYEPLDTJ-UHFFFAOYSA-N
XLogP0.84
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-methyl-3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 63015107) is 8-methyl-3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-methyl-3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-methyl-3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC1NCCn2c(C3CCCOC3)nnc21.
What is the InChIKey of 8-methyl-3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KCPCQXQYEPLDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-10-13-14-11(15(10)5-4-12-8)9-3-2-6-16-7-9/h8-9,12H,2-7H2,1H3.
What are the key properties of 8-methyl-3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-methyl-3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 222.29 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 63015107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).