(3R)-3-(2-phenyl-1,2,4-triazol-3-yl)-4-(2-pyridin-2-ylethyl)morpholine

C19H21N5O — CID 125142323

IUPAC(3R)-3-(2-phenyl-1,2,4-triazol-3-yl)-4-(2-pyridin-2-ylethyl)morpholine
SMILESc1ccc(-n2ncnc2[C@@H]2COCCN2CCc2ccccn2)cc1
InChIInChI=1S/C19H21N5O/c1-2-7-17(8-3-1)24-19(21-15-22-24)18-14-25-13-12-23(18)11-9-16-6-4-5-10-20-16/h1-8,10,15,18H,9,11-14H2/t18-/m0/s1
InChIKeyABBQIQKJSKNUQM-SFHVURJKSA-N
MW335.41 g/mol
LogP2.28
Rot. Bonds5

About (3R)-3-(2-phenyl-1,2,4-triazol-3-yl)-4-(2-pyridin-2-ylethyl)morpholine

(3R)-3-(2-phenyl-1,2,4-triazol-3-yl)-4-(2-pyridin-2-ylethyl)morpholine (PubChem CID 125142323) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (3R)-3-(2-phenyl-1,2,4-triazol-3-yl)-4-(2-pyridin-2-ylethyl)morpholine.

Molecular Properties

Compound Name(3R)-3-(2-phenyl-1,2,4-triazol-3-yl)-4-(2-pyridin-2-ylethyl)morpholine
PubChem CID125142323
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(3R)-3-(2-phenyl-1,2,4-triazol-3-yl)-4-(2-pyridin-2-ylethyl)morpholine
SMILESc1ccc(-n2ncnc2[C@@H]2COCCN2CCc2ccccn2)cc1
InChIInChI=1S/C19H21N5O/c1-2-7-17(8-3-1)24-19(21-15-22-24)18-14-25-13-12-23(18)11-9-16-6-4-5-10-20-16/h1-8,10,15,18H,9,11-14H2/t18-/m0/s1
InChIKeyABBQIQKJSKNUQM-SFHVURJKSA-N
XLogP2.28
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]benzoic acid
CID 122034052
[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124740594
(3R)-4-(6-chloro-2-methylpyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine
CID 124882773
2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 129487298
(3S)-4-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine
CID 124882906
2-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]pyridine
CID 95326229
4-(2-ethenylsulfonylethyl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine
CID 138051010
4-[(2-ethylnaphthalen-1-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine
CID 138027903
4-[6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 171326602
1-(2-phenylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-ol
CID 107332285
3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 56794010
N-[[4-[[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 126796449

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-phenyl-1,2,4-triazol-3-yl)-4-(2-pyridin-2-ylethyl)morpholine?
The IUPAC name of (3R)-3-(2-phenyl-1,2,4-triazol-3-yl)-4-(2-pyridin-2-ylethyl)morpholine (CID 125142323) is (3R)-3-(2-phenyl-1,2,4-triazol-3-yl)-4-(2-pyridin-2-ylethyl)morpholine.
What is the SMILES notation for (3R)-3-(2-phenyl-1,2,4-triazol-3-yl)-4-(2-pyridin-2-ylethyl)morpholine?
The canonical SMILES for (3R)-3-(2-phenyl-1,2,4-triazol-3-yl)-4-(2-pyridin-2-ylethyl)morpholine is c1ccc(-n2ncnc2[C@@H]2COCCN2CCc2ccccn2)cc1.
What is the InChIKey of (3R)-3-(2-phenyl-1,2,4-triazol-3-yl)-4-(2-pyridin-2-ylethyl)morpholine?
The InChIKey is ABBQIQKJSKNUQM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-7-17(8-3-1)24-19(21-15-22-24)18-14-25-13-12-23(18)11-9-16-6-4-5-10-20-16/h1-8,10,15,18H,9,11-14H2/t18-/m0/s1.
What are the key properties of (3R)-3-(2-phenyl-1,2,4-triazol-3-yl)-4-(2-pyridin-2-ylethyl)morpholine?
(3R)-3-(2-phenyl-1,2,4-triazol-3-yl)-4-(2-pyridin-2-ylethyl)morpholine has a molecular weight of 335.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-phenyl-1,2,4-triazol-3-yl)-4-(2-pyridin-2-ylethyl)morpholine is sourced from PubChem (CID 125142323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).