[3-(hydroxymethyl)azetidin-3-yl]-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C19H25N5O2 — CID 164687906

IUPAC[3-(hydroxymethyl)azetidin-3-yl]-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESC[C@H]1CN(C(=O)C2(CO)CNC2)Cc2nnc(CCc3ccccc3)n21
InChIInChI=1S/C19H25N5O2/c1-14-9-23(18(26)19(13-25)11-20-12-19)10-17-22-21-16(24(14)17)8-7-15-5-3-2-4-6-15/h2-6,14,20,25H,7-13H2,1H3/t14-/m0/s1
InChIKeyUSNMGIDCSUDDFR-AWEZNQCLSA-N
MW355.44 g/mol
LogP0.55
Rot. Bonds5

About [3-(hydroxymethyl)azetidin-3-yl]-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

[3-(hydroxymethyl)azetidin-3-yl]-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 164687906) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [3-(hydroxymethyl)azetidin-3-yl]-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)azetidin-3-yl]-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID164687906
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name[3-(hydroxymethyl)azetidin-3-yl]-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESC[C@H]1CN(C(=O)C2(CO)CNC2)Cc2nnc(CCc3ccccc3)n21
InChIInChI=1S/C19H25N5O2/c1-14-9-23(18(26)19(13-25)11-20-12-19)10-17-22-21-16(24(14)17)8-7-15-5-3-2-4-6-15/h2-6,14,20,25H,7-13H2,1H3/t14-/m0/s1
InChIKeyUSNMGIDCSUDDFR-AWEZNQCLSA-N
XLogP0.55
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-(hydroxymethyl)azetidin-3-yl]-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Related Compounds

[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone
CID 164695860
[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-piperazin-2-yl]methanone
CID 164700362
(6-amino-2-pyridinyl)-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 165422600
1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridin-4-ylpropan-1-one
CID 164692866
(4-hydroxy-3,5-dimethylphenyl)-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164697869
2-methyl-5-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4H-1,2,4-triazol-3-one
CID 164691283
3-[3-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 164698532
5-[2-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 164694464
2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 164691972
(5S)-5-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 163305891
imidazo[1,2-a]pyridin-6-yl-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164697364
[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone
CID 164699065

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)azetidin-3-yl]-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of [3-(hydroxymethyl)azetidin-3-yl]-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 164687906) is [3-(hydroxymethyl)azetidin-3-yl]-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)azetidin-3-yl]-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for [3-(hydroxymethyl)azetidin-3-yl]-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is C[C@H]1CN(C(=O)C2(CO)CNC2)Cc2nnc(CCc3ccccc3)n21.
What is the InChIKey of [3-(hydroxymethyl)azetidin-3-yl]-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is USNMGIDCSUDDFR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-9-23(18(26)19(13-25)11-20-12-19)10-17-22-21-16(24(14)17)8-7-15-5-3-2-4-6-15/h2-6,14,20,25H,7-13H2,1H3/t14-/m0/s1.
What are the key properties of [3-(hydroxymethyl)azetidin-3-yl]-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
[3-(hydroxymethyl)azetidin-3-yl]-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)azetidin-3-yl]-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 164687906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).