(3R)-3-methyl-4-[[1-[(1S)-1-pyridin-3-ylethyl]triazol-4-yl]methyl]morpholine

C15H21N5O — CID 138051960

IUPAC(3R)-3-methyl-4-[[1-[(1S)-1-pyridin-3-ylethyl]triazol-4-yl]methyl]morpholine
SMILESC[C@@H]1COCCN1Cc1cn([C@@H](C)c2cccnc2)nn1
InChIInChI=1S/C15H21N5O/c1-12-11-21-7-6-19(12)9-15-10-20(18-17-15)13(2)14-4-3-5-16-8-14/h3-5,8,10,12-13H,6-7,9,11H2,1-2H3/t12-,13+/m1/s1
InChIKeyCLQZUKASUDYXQH-OLZOCXBDSA-N
MW287.37 g/mol
LogP1.50
Rot. Bonds4

About (3R)-3-methyl-4-[[1-[(1S)-1-pyridin-3-ylethyl]triazol-4-yl]methyl]morpholine

(3R)-3-methyl-4-[[1-[(1S)-1-pyridin-3-ylethyl]triazol-4-yl]methyl]morpholine (PubChem CID 138051960) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (3R)-3-methyl-4-[[1-[(1S)-1-pyridin-3-ylethyl]triazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[[1-[(1S)-1-pyridin-3-ylethyl]triazol-4-yl]methyl]morpholine
PubChem CID138051960
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(3R)-3-methyl-4-[[1-[(1S)-1-pyridin-3-ylethyl]triazol-4-yl]methyl]morpholine
SMILESC[C@@H]1COCCN1Cc1cn([C@@H](C)c2cccnc2)nn1
InChIInChI=1S/C15H21N5O/c1-12-11-21-7-6-19(12)9-15-10-20(18-17-15)13(2)14-4-3-5-16-8-14/h3-5,8,10,12-13H,6-7,9,11H2,1-2H3/t12-,13+/m1/s1
InChIKeyCLQZUKASUDYXQH-OLZOCXBDSA-N
XLogP1.50
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-3-methyl-4-[[1-[(1S)-1-pyridin-3-ylethyl]triazol-4-yl]methyl]morpholine with MolForge

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Related Compounds

(3R)-4-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-3-methylmorpholine
CID 154787561
(3R)-4-[[1-[(3-chloro-4-pyridinyl)methyl]triazol-4-yl]methyl]-3-methylmorpholine
CID 136585133
(3R)-4-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]-3-methylmorpholine
CID 167986801
(3R)-3-methyl-4-[[1-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]triazol-4-yl]methyl]morpholine
CID 139019631
N-methyl-6-[(3-methylmorpholin-4-yl)methyl]pyridin-2-amine
CID 79242723
2-methyl-3-(3-methylmorpholin-4-yl)-1-phenylpropan-1-amine
CID 62619774
(2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine
CID 98757746
2-(3-ethylmorpholin-4-yl)-2-pyridin-3-ylethanamine
CID 43612945
[4-[(3-methylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008118
4-[(3-methylmorpholin-4-yl)methyl]phenol
CID 82972800
[4-(3-methylmorpholin-4-yl)-3-pyridinyl]methanamine
CID 81246555
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(1-pyridin-3-ylethyl)piperazine
CID 75509202

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[[1-[(1S)-1-pyridin-3-ylethyl]triazol-4-yl]methyl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[[1-[(1S)-1-pyridin-3-ylethyl]triazol-4-yl]methyl]morpholine (CID 138051960) is (3R)-3-methyl-4-[[1-[(1S)-1-pyridin-3-ylethyl]triazol-4-yl]methyl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[[1-[(1S)-1-pyridin-3-ylethyl]triazol-4-yl]methyl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[[1-[(1S)-1-pyridin-3-ylethyl]triazol-4-yl]methyl]morpholine is C[C@@H]1COCCN1Cc1cn([C@@H](C)c2cccnc2)nn1.
What is the InChIKey of (3R)-3-methyl-4-[[1-[(1S)-1-pyridin-3-ylethyl]triazol-4-yl]methyl]morpholine?
The InChIKey is CLQZUKASUDYXQH-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12-11-21-7-6-19(12)9-15-10-20(18-17-15)13(2)14-4-3-5-16-8-14/h3-5,8,10,12-13H,6-7,9,11H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (3R)-3-methyl-4-[[1-[(1S)-1-pyridin-3-ylethyl]triazol-4-yl]methyl]morpholine?
(3R)-3-methyl-4-[[1-[(1S)-1-pyridin-3-ylethyl]triazol-4-yl]methyl]morpholine has a molecular weight of 287.37 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[[1-[(1S)-1-pyridin-3-ylethyl]triazol-4-yl]methyl]morpholine is sourced from PubChem (CID 138051960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).