2-(6-methyl-3-pyridinyl)-1-[(2R)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone

C17H23N5O2 — CID 96511839

IUPAC2-(6-methyl-3-pyridinyl)-1-[(2R)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
SMILESCCCc1nc([C@H]2CN(C(=O)Cc3ccc(C)nc3)CCO2)n[nH]1
InChIInChI=1S/C17H23N5O2/c1-3-4-15-19-17(21-20-15)14-11-22(7-8-24-14)16(23)9-13-6-5-12(2)18-10-13/h5-6,10,14H,3-4,7-9,11H2,1-2H3,(H,19,20,21)/t14-/m1/s1
InChIKeySDZNXPUCHMVTOI-CQSZACIVSA-N
MW329.40 g/mol
LogP1.60
Rot. Bonds5

About 2-(6-methyl-3-pyridinyl)-1-[(2R)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone

2-(6-methyl-3-pyridinyl)-1-[(2R)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone (PubChem CID 96511839) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-1-[(2R)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-1-[(2R)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
PubChem CID96511839
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-(6-methyl-3-pyridinyl)-1-[(2R)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
SMILESCCCc1nc([C@H]2CN(C(=O)Cc3ccc(C)nc3)CCO2)n[nH]1
InChIInChI=1S/C17H23N5O2/c1-3-4-15-19-17(21-20-15)14-11-22(7-8-24-14)16(23)9-13-6-5-12(2)18-10-13/h5-6,10,14H,3-4,7-9,11H2,1-2H3,(H,19,20,21)/t14-/m1/s1
InChIKeySDZNXPUCHMVTOI-CQSZACIVSA-N
XLogP1.60
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-methyl-3-pyridinyl)-1-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 97006454
2-phenylmethoxy-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 71872803
2-phenylmethoxy-1-[(2S)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 96511848
4-(2-methylimidazol-1-yl)-1-[(2S)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one
CID 96511836
3-(3-chloro-4-methylphenyl)-1-[2-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]morpholin-4-yl]propan-1-one
CID 167968222
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 97059631
[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129461340
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 96996858
4-[2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 96996849
2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 71872781
1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110115499
1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124944644

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-1-[(2R)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-1-[(2R)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone (CID 96511839) is 2-(6-methyl-3-pyridinyl)-1-[(2R)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-1-[(2R)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-1-[(2R)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone is CCCc1nc([C@H]2CN(C(=O)Cc3ccc(C)nc3)CCO2)n[nH]1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-1-[(2R)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The InChIKey is SDZNXPUCHMVTOI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-4-15-19-17(21-20-15)14-11-22(7-8-24-14)16(23)9-13-6-5-12(2)18-10-13/h5-6,10,14H,3-4,7-9,11H2,1-2H3,(H,19,20,21)/t14-/m1/s1.
What are the key properties of 2-(6-methyl-3-pyridinyl)-1-[(2R)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
2-(6-methyl-3-pyridinyl)-1-[(2R)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone has a molecular weight of 329.40 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-1-[(2R)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 96511839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).