(2R)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butan-1-one

C17H28N4O3 — CID 95350843

IUPAC(2R)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butan-1-one
SMILESCCc1nnc2n1CCN(C(=O)[C@H](OC[C@H]1CCCO1)C(C)C)C2
InChIInChI=1S/C17H28N4O3/c1-4-14-18-19-15-10-20(7-8-21(14)15)17(22)16(12(2)3)24-11-13-6-5-9-23-13/h12-13,16H,4-11H2,1-3H3/t13-,16-/m1/s1
InChIKeyRZRQHGRFPQLKMB-CZUORRHYSA-N
MW336.44 g/mol
LogP1.40
Rot. Bonds6

About (2R)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butan-1-one

(2R)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butan-1-one (PubChem CID 95350843) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2R)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butan-1-one.

Molecular Properties

Compound Name(2R)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butan-1-one
PubChem CID95350843
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name(2R)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butan-1-one
SMILESCCc1nnc2n1CCN(C(=O)[C@H](OC[C@H]1CCCO1)C(C)C)C2
InChIInChI=1S/C17H28N4O3/c1-4-14-18-19-15-10-20(7-8-21(14)15)17(22)16(12(2)3)24-11-13-6-5-9-23-13/h12-13,16H,4-11H2,1-3H3/t13-,16-/m1/s1
InChIKeyRZRQHGRFPQLKMB-CZUORRHYSA-N
XLogP1.40
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butan-1-one with MolForge

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Related Compounds

(2S)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propan-1-one
CID 95289381
(2S)-2-[[(2S)-oxan-2-yl]methoxy]-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 95323324
(2R)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butan-1-one
CID 95318150
3-[(2S)-oxolan-2-yl]-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 95978215
(2S)-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]butan-1-one
CID 95283105
(2S)-3-methyl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]butan-1-one
CID 129448774
(2R)-2-(benzimidazol-1-yl)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 95302823
2-[(2S)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholin-2-yl]acetic acid
CID 125120231
[3-(hydroxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 126469064
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one
CID 119411763
(2S)-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]propan-1-one
CID 95339500
(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanehydrazide
CID 95341337

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butan-1-one?
The IUPAC name of (2R)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butan-1-one (CID 95350843) is (2R)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butan-1-one.
What is the SMILES notation for (2R)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butan-1-one?
The canonical SMILES for (2R)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butan-1-one is CCc1nnc2n1CCN(C(=O)[C@H](OC[C@H]1CCCO1)C(C)C)C2.
What is the InChIKey of (2R)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butan-1-one?
The InChIKey is RZRQHGRFPQLKMB-CZUORRHYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-4-14-18-19-15-10-20(7-8-21(14)15)17(22)16(12(2)3)24-11-13-6-5-9-23-13/h12-13,16H,4-11H2,1-3H3/t13-,16-/m1/s1.
What are the key properties of (2R)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butan-1-one?
(2R)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butan-1-one has a molecular weight of 336.44 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butan-1-one is sourced from PubChem (CID 95350843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).