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

C14H19N5O — CID 107948664

IUPAC3-(propoxymethyl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCOCc1nnc2n1CCNC2c1cccnc1
InChIInChI=1S/C14H19N5O/c1-2-8-20-10-12-17-18-14-13(16-6-7-19(12)14)11-4-3-5-15-9-11/h3-5,9,13,16H,2,6-8,10H2,1H3
InChIKeyXYLUDYAZOABCIY-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.29
Rot. Bonds5

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

3-(propoxymethyl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 107948664) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(propoxymethyl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(propoxymethyl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID107948664
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-(propoxymethyl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCOCc1nnc2n1CCNC2c1cccnc1
InChIInChI=1S/C14H19N5O/c1-2-8-20-10-12-17-18-14-13(16-6-7-19(12)14)11-4-3-5-15-9-11/h3-5,9,13,16H,2,6-8,10H2,1H3
InChIKeyXYLUDYAZOABCIY-UHFFFAOYSA-N
XLogP1.29
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-[(2-methylpropan-2-yl)oxymethyl]-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792351
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-pentan-2-yl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792383
8-cyclopropyl-3-(propoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 114019583
3-cyclohexyl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792335
8-(1-methylpyrazol-4-yl)-3-(2-propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792231
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
3-(propoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 107940933

Frequently Asked Questions

What is the IUPAC name of 3-(propoxymethyl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(propoxymethyl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 107948664) is 3-(propoxymethyl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(propoxymethyl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(propoxymethyl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCCOCc1nnc2n1CCNC2c1cccnc1.
What is the InChIKey of 3-(propoxymethyl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is XYLUDYAZOABCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-8-20-10-12-17-18-14-13(16-6-7-19(12)14)11-4-3-5-15-9-11/h3-5,9,13,16H,2,6-8,10H2,1H3.
What are the key properties of 3-(propoxymethyl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(propoxymethyl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 273.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propoxymethyl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 107948664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).