3-[2-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C14H18N4 — CID 62588066

IUPAC3-[2-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1ccccc1CCc1nnc2n1CCNC2
InChIInChI=1S/C14H18N4/c1-11-4-2-3-5-12(11)6-7-13-16-17-14-10-15-8-9-18(13)14/h2-5,15H,6-10H2,1H3
InChIKeyGDEUBHUUQPHIQI-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.47
Rot. Bonds3

About 3-[2-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-[2-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 62588066) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 3-[2-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-[2-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID62588066
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name3-[2-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1ccccc1CCc1nnc2n1CCNC2
InChIInChI=1S/C14H18N4/c1-11-4-2-3-5-12(11)6-7-13-16-17-14-10-15-8-9-18(13)14/h2-5,15H,6-10H2,1H3
InChIKeyGDEUBHUUQPHIQI-UHFFFAOYSA-N
XLogP1.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-[2-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 62588066) is 3-[2-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-[2-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-[2-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is Cc1ccccc1CCc1nnc2n1CCNC2.
What is the InChIKey of 3-[2-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is GDEUBHUUQPHIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-4-2-3-5-12(11)6-7-13-16-17-14-10-15-8-9-18(13)14/h2-5,15H,6-10H2,1H3.
What are the key properties of 3-[2-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-[2-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 242.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 62588066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).