(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[(1R)-1-pyridin-4-ylethyl]morpholine

C14H19N5O — CID 98772589

IUPAC(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[(1R)-1-pyridin-4-ylethyl]morpholine
SMILESCc1nc([C@@H]2CN([C@H](C)c3ccncc3)CCO2)n[nH]1
InChIInChI=1S/C14H19N5O/c1-10(12-3-5-15-6-4-12)19-7-8-20-13(9-19)14-16-11(2)17-18-14/h3-6,10,13H,7-9H2,1-2H3,(H,16,17,18)/t10-,13+/m1/s1
InChIKeyRBOHYRJHKDSDIM-MFKMUULPSA-N
MW273.34 g/mol
LogP1.64
Rot. Bonds3

About (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[(1R)-1-pyridin-4-ylethyl]morpholine

(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[(1R)-1-pyridin-4-ylethyl]morpholine (PubChem CID 98772589) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[(1R)-1-pyridin-4-ylethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[(1R)-1-pyridin-4-ylethyl]morpholine
PubChem CID98772589
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[(1R)-1-pyridin-4-ylethyl]morpholine
SMILESCc1nc([C@@H]2CN([C@H](C)c3ccncc3)CCO2)n[nH]1
InChIInChI=1S/C14H19N5O/c1-10(12-3-5-15-6-4-12)19-7-8-20-13(9-19)14-16-11(2)17-18-14/h3-6,10,13H,7-9H2,1-2H3,(H,16,17,18)/t10-,13+/m1/s1
InChIKeyRBOHYRJHKDSDIM-MFKMUULPSA-N
XLogP1.64
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[(1R)-1-pyridin-4-ylethyl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

(2R)-N-(furan-2-ylmethyl)-N-methyl-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide
CID 98774993
N-methyl-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 129461872
(2R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide
CID 98774996
(2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide
CID 96510651
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[1-(2-fluorophenyl)ethyl]morpholine
CID 71928126
(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1S)-1-(2-fluorophenyl)ethyl]morpholine
CID 96996960
4-propan-2-yl-2-pyridin-4-ylmorpholine
CID 176665996
[3-(4-propan-2-ylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79662691
4-[(1S)-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]benzonitrile
CID 96512401
4-[1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]benzonitrile
CID 71928068
(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrazol-1-ylethyl)morpholine
CID 96512312
(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine
CID 164637217

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[(1R)-1-pyridin-4-ylethyl]morpholine?
The IUPAC name of (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[(1R)-1-pyridin-4-ylethyl]morpholine (CID 98772589) is (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[(1R)-1-pyridin-4-ylethyl]morpholine.
What is the SMILES notation for (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[(1R)-1-pyridin-4-ylethyl]morpholine?
The canonical SMILES for (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[(1R)-1-pyridin-4-ylethyl]morpholine is Cc1nc([C@@H]2CN([C@H](C)c3ccncc3)CCO2)n[nH]1.
What is the InChIKey of (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[(1R)-1-pyridin-4-ylethyl]morpholine?
The InChIKey is RBOHYRJHKDSDIM-MFKMUULPSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10(12-3-5-15-6-4-12)19-7-8-20-13(9-19)14-16-11(2)17-18-14/h3-6,10,13H,7-9H2,1-2H3,(H,16,17,18)/t10-,13+/m1/s1.
What are the key properties of (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[(1R)-1-pyridin-4-ylethyl]morpholine?
(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[(1R)-1-pyridin-4-ylethyl]morpholine has a molecular weight of 273.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[(1R)-1-pyridin-4-ylethyl]morpholine is sourced from PubChem (CID 98772589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).