(1R)-2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(4-methylphenyl)ethanol

C17H24N4O2 — CID 129333633

IUPAC(1R)-2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(4-methylphenyl)ethanol
SMILESCCn1cnnc1[C@H]1CN(C[C@H](O)c2ccc(C)cc2)CCO1
InChIInChI=1S/C17H24N4O2/c1-3-21-12-18-19-17(21)16-11-20(8-9-23-16)10-15(22)14-6-4-13(2)5-7-14/h4-7,12,15-16,22H,3,8-11H2,1-2H3/t15-,16+/m0/s1
InChIKeyFYTTZCWCIMKGQZ-JKSUJKDBSA-N
MW316.41 g/mol
LogP1.71
Rot. Bonds5

About (1R)-2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(4-methylphenyl)ethanol

(1R)-2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(4-methylphenyl)ethanol (PubChem CID 129333633) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (1R)-2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(4-methylphenyl)ethanol
PubChem CID129333633
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(1R)-2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(4-methylphenyl)ethanol
SMILESCCn1cnnc1[C@H]1CN(C[C@H](O)c2ccc(C)cc2)CCO1
InChIInChI=1S/C17H24N4O2/c1-3-21-12-18-19-17(21)16-11-20(8-9-23-16)10-15(22)14-6-4-13(2)5-7-14/h4-7,12,15-16,22H,3,8-11H2,1-2H3/t15-,16+/m0/s1
InChIKeyFYTTZCWCIMKGQZ-JKSUJKDBSA-N
XLogP1.71
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(4-methylphenyl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

(1S)-2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(2-fluorophenyl)ethanol
CID 129331030
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine
CID 129332140
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine
CID 128997862
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine
CID 129337565
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine
CID 129344159
1-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-methylphenoxy)ethanone
CID 129006398
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(3-propan-2-yloxypropyl)morpholine
CID 129335737
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine
CID 128996126
5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile
CID 129340117
4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129001246
2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 129336394
(2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129338594

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(4-methylphenyl)ethanol?
The IUPAC name of (1R)-2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(4-methylphenyl)ethanol (CID 129333633) is (1R)-2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(4-methylphenyl)ethanol.
What is the SMILES notation for (1R)-2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(4-methylphenyl)ethanol?
The canonical SMILES for (1R)-2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(4-methylphenyl)ethanol is CCn1cnnc1[C@H]1CN(C[C@H](O)c2ccc(C)cc2)CCO1.
What is the InChIKey of (1R)-2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(4-methylphenyl)ethanol?
The InChIKey is FYTTZCWCIMKGQZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-21-12-18-19-17(21)16-11-20(8-9-23-16)10-15(22)14-6-4-13(2)5-7-14/h4-7,12,15-16,22H,3,8-11H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of (1R)-2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(4-methylphenyl)ethanol?
(1R)-2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(4-methylphenyl)ethanol has a molecular weight of 316.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 129333633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).