1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-morpholin-4-ylethanone

C14H23N5O3 — CID 165424057

IUPAC1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-morpholin-4-ylethanone
SMILESCOCc1nnc2n1[C@@H](C)CN(C(=O)CN1CCOCC1)C2
InChIInChI=1S/C14H23N5O3/c1-11-7-18(14(20)9-17-3-5-22-6-4-17)8-12-15-16-13(10-21-2)19(11)12/h11H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyWDKVFSMGBOGLLX-NSHDSACASA-N
MW309.37 g/mol
LogP-0.34
Rot. Bonds4

About 1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-morpholin-4-ylethanone

1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-morpholin-4-ylethanone (PubChem CID 165424057) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-morpholin-4-ylethanone
PubChem CID165424057
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Name1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-morpholin-4-ylethanone
SMILESCOCc1nnc2n1[C@@H](C)CN(C(=O)CN1CCOCC1)C2
InChIInChI=1S/C14H23N5O3/c1-11-7-18(14(20)9-17-3-5-22-6-4-17)8-12-15-16-13(10-21-2)19(11)12/h11H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyWDKVFSMGBOGLLX-NSHDSACASA-N
XLogP-0.34
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-morpholin-4-ylethanone with MolForge

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Related Compounds

(2S)-2-amino-3-hydroxy-1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
CID 164690039
2-[2-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 164693565
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164696848
[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinoxalin-2-ylmethanone
CID 164688671
2-[5-[(1S)-1-aminoethyl]-3-phenyl-1,2,4-triazol-1-yl]-1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone;hydrochloride
CID 171316830
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[(5S)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 97437450
[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1-benzofuran-7-yl)methanone
CID 164692864
[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-phenoxyphenyl)methanone
CID 164688178
[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 164695736
[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 164692366
[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 164692614
3-[2-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 165418878

Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-morpholin-4-ylethanone (CID 165424057) is 1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-morpholin-4-ylethanone is COCc1nnc2n1[C@@H](C)CN(C(=O)CN1CCOCC1)C2.
What is the InChIKey of 1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-morpholin-4-ylethanone?
The InChIKey is WDKVFSMGBOGLLX-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N5O3/c1-11-7-18(14(20)9-17-3-5-22-6-4-17)8-12-15-16-13(10-21-2)19(11)12/h11H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-morpholin-4-ylethanone?
1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-morpholin-4-ylethanone has a molecular weight of 309.37 g/mol, XLogP of -0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 165424057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).