(5S)-5-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C14H18N4 — CID 163305891

IUPAC(5S)-5-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC[C@H]1CNCc2nnc(CCc3ccccc3)n21
InChIInChI=1S/C14H18N4/c1-11-9-15-10-14-17-16-13(18(11)14)8-7-12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3/t11-/m0/s1
InChIKeyUVZIEXJDSYOCFI-NSHDSACASA-N
MW242.33 g/mol
LogP1.73
Rot. Bonds3

About (5S)-5-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

(5S)-5-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 163305891) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is (5S)-5-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name(5S)-5-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID163305891
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name(5S)-5-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC[C@H]1CNCc2nnc(CCc3ccccc3)n21
InChIInChI=1S/C14H18N4/c1-11-9-15-10-14-17-16-13(18(11)14)8-7-12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3/t11-/m0/s1
InChIKeyUVZIEXJDSYOCFI-NSHDSACASA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of (5S)-5-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 163305891) is (5S)-5-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for (5S)-5-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for (5S)-5-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is C[C@H]1CNCc2nnc(CCc3ccccc3)n21.
What is the InChIKey of (5S)-5-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is UVZIEXJDSYOCFI-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4/c1-11-9-15-10-14-17-16-13(18(11)14)8-7-12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3/t11-/m0/s1.
What are the key properties of (5S)-5-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
(5S)-5-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 242.33 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 163305891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).