(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

C15H24N4O3 — CID 95289381

IUPAC(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
SMILESCCc1nnc2n1CCN(C(=O)[C@H](C)OC[C@@H]1CCCO1)C2
InChIInChI=1S/C15H24N4O3/c1-3-13-16-17-14-9-18(6-7-19(13)14)15(20)11(2)22-10-12-5-4-8-21-12/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyJNAAELHIZMEKNO-RYUDHWBXSA-N
MW308.38 g/mol
LogP0.77
Rot. Bonds5

About (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

(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 (PubChem CID 95289381) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID95289381
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name(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
SMILESCCc1nnc2n1CCN(C(=O)[C@H](C)OC[C@@H]1CCCO1)C2
InChIInChI=1S/C15H24N4O3/c1-3-13-16-17-14-9-18(6-7-19(13)14)15(20)11(2)22-10-12-5-4-8-21-12/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyJNAAELHIZMEKNO-RYUDHWBXSA-N
XLogP0.77
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

(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
(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
2-[(2S)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholin-2-yl]acetic acid
CID 125120231
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one
CID 119411763
(3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid
CID 129466161
(2S)-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]propan-1-one
CID 95339500
(2S)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]propan-1-one
CID 98772177
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)propan-1-one
CID 100843241
(3S)-1-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]piperidine-3-carboxylic acid
CID 125118958
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
3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 119257371
(2R)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one
CID 95176482

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCc1nnc2n1CCN(C(=O)[C@H](C)OC[C@@H]1CCCO1)C2.
What is the InChIKey of (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?
The InChIKey is JNAAELHIZMEKNO-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-3-13-16-17-14-9-18(6-7-19(13)14)15(20)11(2)22-10-12-5-4-8-21-12/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 308.38 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 95289381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).