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

C15H21N5 — CID 102792383

IUPAC3-pentan-2-yl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCC(C)c1nnc2n1CCNC2c1cccnc1
InChIInChI=1S/C15H21N5/c1-3-5-11(2)14-18-19-15-13(17-8-9-20(14)15)12-6-4-7-16-10-12/h4,6-7,10-11,13,17H,3,5,8-9H2,1-2H3
InChIKeyYYKJVDZMWYAWAR-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.27
Rot. Bonds4

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

3-pentan-2-yl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102792383) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-pentan-2-yl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-pentan-2-yl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102792383
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name3-pentan-2-yl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCC(C)c1nnc2n1CCNC2c1cccnc1
InChIInChI=1S/C15H21N5/c1-3-5-11(2)14-18-19-15-13(17-8-9-20(14)15)12-6-4-7-16-10-12/h4,6-7,10-11,13,17H,3,5,8-9H2,1-2H3
InChIKeyYYKJVDZMWYAWAR-UHFFFAOYSA-N
XLogP2.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-pentan-2-yl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-pentan-3-yl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792398
3-(propoxymethyl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 107948664
3-(methoxymethyl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792402
3-(cyclopropylmethyl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792355
3-cyclohexyl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792335
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-(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-(1-cyclopropylethyl)-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 83151447
3-(3-methylbutan-2-yl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792235
3-butan-2-yl-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792492

Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-yl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-pentan-2-yl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102792383) is 3-pentan-2-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-pentan-2-yl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-pentan-2-yl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCCC(C)c1nnc2n1CCNC2c1cccnc1.
What is the InChIKey of 3-pentan-2-yl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is YYKJVDZMWYAWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-3-5-11(2)14-18-19-15-13(17-8-9-20(14)15)12-6-4-7-16-10-12/h4,6-7,10-11,13,17H,3,5,8-9H2,1-2H3.
What are the key properties of 3-pentan-2-yl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-pentan-2-yl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 271.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102792383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).