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

C15H19N5O — CID 102792368

IUPAC3-(5-methyloxolan-3-yl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1CC(c2nnc3n2CCNC3c2cccnc2)CO1
InChIInChI=1S/C15H19N5O/c1-10-7-12(9-21-10)14-18-19-15-13(17-5-6-20(14)15)11-3-2-4-16-8-11/h2-4,8,10,12-13,17H,5-7,9H2,1H3
InChIKeyFMIYOIMJQXBMNO-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.26
Rot. Bonds2

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

3-(5-methyloxolan-3-yl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102792368) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(5-methyloxolan-3-yl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(5-methyloxolan-3-yl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102792368
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-(5-methyloxolan-3-yl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1CC(c2nnc3n2CCNC3c2cccnc2)CO1
InChIInChI=1S/C15H19N5O/c1-10-7-12(9-21-10)14-18-19-15-13(17-5-6-20(14)15)11-3-2-4-16-8-11/h2-4,8,10,12-13,17H,5-7,9H2,1H3
InChIKeyFMIYOIMJQXBMNO-UHFFFAOYSA-N
XLogP1.26
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyloxolan-3-yl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(5-methyloxolan-3-yl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102792368) is 3-(5-methyloxolan-3-yl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(5-methyloxolan-3-yl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(5-methyloxolan-3-yl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC1CC(c2nnc3n2CCNC3c2cccnc2)CO1.
What is the InChIKey of 3-(5-methyloxolan-3-yl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is FMIYOIMJQXBMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-7-12(9-21-10)14-18-19-15-13(17-5-6-20(14)15)11-3-2-4-16-8-11/h2-4,8,10,12-13,17H,5-7,9H2,1H3.
What are the key properties of 3-(5-methyloxolan-3-yl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(5-methyloxolan-3-yl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 285.35 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyloxolan-3-yl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102792368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).