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

C15H21N5O — CID 102792351

IUPAC3-[(2-methylpropan-2-yl)oxymethyl]-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)OCc1nnc2n1CCNC2c1cccnc1
InChIInChI=1S/C15H21N5O/c1-15(2,3)21-10-12-18-19-14-13(17-7-8-20(12)14)11-5-4-6-16-9-11/h4-6,9,13,17H,7-8,10H2,1-3H3
InChIKeyQOBBQYWJXWMZAV-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.68
Rot. Bonds3

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

3-[(2-methylpropan-2-yl)oxymethyl]-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102792351) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxymethyl]-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxymethyl]-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102792351
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-[(2-methylpropan-2-yl)oxymethyl]-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)OCc1nnc2n1CCNC2c1cccnc1
InChIInChI=1S/C15H21N5O/c1-15(2,3)21-10-12-18-19-14-13(17-7-8-20(12)14)11-5-4-6-16-9-11/h4-6,9,13,17H,7-8,10H2,1-3H3
InChIKeyQOBBQYWJXWMZAV-UHFFFAOYSA-N
XLogP1.68
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(methoxymethyl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792402
3-(propoxymethyl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 107948664
3-(cyclopropylmethyl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792355
3-pentan-3-yl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792398
3-cyclohexyl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792335
3-pentan-2-yl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792383
3-(oxan-4-yl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792393
3-(5-methyl-1H-pyrazol-4-yl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792395
3-(5-methyloxolan-3-yl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792368
8-tert-butyl-3-(phenoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792045
8-methyl-3-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62586991
8-(1-methylpyrazol-4-yl)-3-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792181

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxymethyl]-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxymethyl]-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102792351) is 3-[(2-methylpropan-2-yl)oxymethyl]-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxymethyl]-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxymethyl]-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)(C)OCc1nnc2n1CCNC2c1cccnc1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxymethyl]-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is QOBBQYWJXWMZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-15(2,3)21-10-12-18-19-14-13(17-7-8-20(12)14)11-5-4-6-16-9-11/h4-6,9,13,17H,7-8,10H2,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxymethyl]-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-[(2-methylpropan-2-yl)oxymethyl]-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 287.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxymethyl]-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102792351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).