(3R)-3-methyl-4-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]morpholine

C17H28N6O — CID 136585137

IUPAC(3R)-3-methyl-4-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]morpholine
SMILESCCC(CC)n1ccc(Cn2cc(CN3CCOC[C@H]3C)nn2)n1
InChIInChI=1S/C17H28N6O/c1-4-17(5-2)23-7-6-15(19-23)11-22-12-16(18-20-22)10-21-8-9-24-13-14(21)3/h6-7,12,14,17H,4-5,8-11,13H2,1-3H3/t14-/m1/s1
InChIKeyBERNJUCRQZSQNL-CQSZACIVSA-N
MW332.45 g/mol
LogP2.10
Rot. Bonds7

About (3R)-3-methyl-4-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]morpholine

(3R)-3-methyl-4-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]morpholine (PubChem CID 136585137) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is (3R)-3-methyl-4-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]morpholine
PubChem CID136585137
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name(3R)-3-methyl-4-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]morpholine
SMILESCCC(CC)n1ccc(Cn2cc(CN3CCOC[C@H]3C)nn2)n1
InChIInChI=1S/C17H28N6O/c1-4-17(5-2)23-7-6-15(19-23)11-22-12-16(18-20-22)10-21-8-9-24-13-14(21)3/h6-7,12,14,17H,4-5,8-11,13H2,1-3H3/t14-/m1/s1
InChIKeyBERNJUCRQZSQNL-CQSZACIVSA-N
XLogP2.10
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R)-3-methyl-4-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]morpholine with MolForge

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Related Compounds

4-[(1-ethyl-1H-pyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine
CID 91843740
3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole
CID 124731640
4-[2-Fluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine
CID 144666483
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-(oxolan-3-yl)piperidin-4-amine
CID 126835581
4-fluoro-N-methyl-N-[(1-methyl-1H-pyrazol-3-yl)methyl]oxolan-3-amine
CID 126856141
(3R,4S)-4-fluoro-N-methyl-N-[(1-methyl-1H-pyrazol-3-yl)methyl]oxolan-3-amine
CID 126856250
1-[(1-Methyltriazol-4-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 127807229
1-[(1-Methyltriazol-4-yl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 132377546
1-Pyrazol-1-yl-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-2-ol
CID 136522335
(3R)-3-methyl-4-[[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]triazol-4-yl]methyl]morpholine
CID 136588201
4-[[1-[[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]triazol-4-yl]methyl]morpholine
CID 137932172
N,N-dimethyl-1-[4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]morpholin-2-yl]methanamine
CID 145878277

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]morpholine (CID 136585137) is (3R)-3-methyl-4-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]morpholine is CCC(CC)n1ccc(Cn2cc(CN3CCOC[C@H]3C)nn2)n1.
What is the InChIKey of (3R)-3-methyl-4-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]morpholine?
The InChIKey is BERNJUCRQZSQNL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N6O/c1-4-17(5-2)23-7-6-15(19-23)11-22-12-16(18-20-22)10-21-8-9-24-13-14(21)3/h6-7,12,14,17H,4-5,8-11,13H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]morpholine?
(3R)-3-methyl-4-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]morpholine has a molecular weight of 332.45 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]morpholine is sourced from PubChem (CID 136585137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).