2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-4-ylacetamide

C16H22N6O2 — CID 96510622

IUPAC2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-4-ylacetamide
SMILESCC(C)c1n[nH]c([C@@H]2CN(CC(=O)Nc3ccncc3)CCO2)n1
InChIInChI=1S/C16H22N6O2/c1-11(2)15-19-16(21-20-15)13-9-22(7-8-24-13)10-14(23)18-12-3-5-17-6-4-12/h3-6,11,13H,7-10H2,1-2H3,(H,17,18,23)(H,19,20,21)/t13-/m0/s1
InChIKeyOQOSPAFPTRNBLS-ZDUSSCGKSA-N
MW330.39 g/mol
LogP1.34
Rot. Bonds5

About 2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-4-ylacetamide

2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-4-ylacetamide (PubChem CID 96510622) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-4-ylacetamide
PubChem CID96510622
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-4-ylacetamide
SMILESCC(C)c1n[nH]c([C@@H]2CN(CC(=O)Nc3ccncc3)CCO2)n1
InChIInChI=1S/C16H22N6O2/c1-11(2)15-19-16(21-20-15)13-9-22(7-8-24-13)10-14(23)18-12-3-5-17-6-4-12/h3-6,11,13H,7-10H2,1-2H3,(H,17,18,23)(H,19,20,21)/t13-/m0/s1
InChIKeyOQOSPAFPTRNBLS-ZDUSSCGKSA-N
XLogP1.34
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-3-ylacetamide
CID 96510603
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide
CID 96512379
(2S)-4-[2-[(S)-phenylsulfinyl]ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 98775051
(2R)-2-imidazol-1-yl-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one
CID 96511760
1,3-dimethyl-6-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methyl]pyrimidine-2,4-dione
CID 96512438
(2S)-2-imidazol-1-yl-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one
CID 96511763
imidazo[1,2-a]pyrazin-8-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96512697
4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 71928079
(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 96512374
1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one
CID 71872857
6-methyl-2-[2-oxo-2-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]pyridazin-3-one
CID 96511755
(2S)-2-(4-fluorophenyl)-2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide
CID 97018948

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-4-ylacetamide (CID 96510622) is 2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-4-ylacetamide is CC(C)c1n[nH]c([C@@H]2CN(CC(=O)Nc3ccncc3)CCO2)n1.
What is the InChIKey of 2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-4-ylacetamide?
The InChIKey is OQOSPAFPTRNBLS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-11(2)15-19-16(21-20-15)13-9-22(7-8-24-13)10-14(23)18-12-3-5-17-6-4-12/h3-6,11,13H,7-10H2,1-2H3,(H,17,18,23)(H,19,20,21)/t13-/m0/s1.
What are the key properties of 2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-4-ylacetamide?
2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-4-ylacetamide has a molecular weight of 330.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 96510622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).