(2S)-2-cyclohexyl-4-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]morpholine

C15H25FN4O — CID 124735985

IUPAC(2S)-2-cyclohexyl-4-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]morpholine
SMILESFCCn1ncnc1CN1CCO[C@@H](C2CCCCC2)C1
InChIInChI=1S/C15H25FN4O/c16-6-7-20-15(17-12-18-20)11-19-8-9-21-14(10-19)13-4-2-1-3-5-13/h12-14H,1-11H2/t14-/m1/s1
InChIKeyOGKUMGBLZWFMBX-CQSZACIVSA-N
MW296.39 g/mol
LogP2.03
Rot. Bonds5

About (2S)-2-cyclohexyl-4-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]morpholine

(2S)-2-cyclohexyl-4-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 124735985) has the molecular formula C15H25FN4O and a molecular weight of 296.39 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-4-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-4-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID124735985
Molecular FormulaC15H25FN4O
Molecular Weight296.39 g/mol
Exact Mass296.20
IUPAC Name(2S)-2-cyclohexyl-4-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]morpholine
SMILESFCCn1ncnc1CN1CCO[C@@H](C2CCCCC2)C1
InChIInChI=1S/C15H25FN4O/c16-6-7-20-15(17-12-18-20)11-19-8-9-21-14(10-19)13-4-2-1-3-5-13/h12-14H,1-11H2/t14-/m1/s1
InChIKeyOGKUMGBLZWFMBX-CQSZACIVSA-N
XLogP2.03
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

8-[[2-(2-Fluoroethyl)-1,2,4-triazol-3-yl]methyl]-1-oxa-8-azaspiro[5.5]undecane-7-carbonitrile
CID 121536646
(2S)-2-(2-methylpropyl)-4-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]morpholine
CID 164635083
(2S)-1-cyclopentyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-2-ol
CID 164636154
2-Cyclohexyl-4-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 121536632
(6R,7S)-8-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-1-oxa-8-azaspiro[5.5]undecane-7-carbonitrile
CID 124728612
(6S,7R)-8-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-1-oxa-8-azaspiro[5.5]undecane-7-carbonitrile
CID 124728613
(6R,7R)-8-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-1-oxa-8-azaspiro[5.5]undecane-7-carbonitrile
CID 124728614
(6S,7S)-8-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-1-oxa-8-azaspiro[5.5]undecane-7-carbonitrile
CID 124728615
(2R)-2-cyclohexyl-4-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 124735984
4-(Cyclohexylmethyl)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholine
CID 72141717
1-(cyclohexylmethyl)-5-(tetrahydro-2H-pyran-2-yl)-3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole
CID 72896195
N-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-(tetrahydro-2H-pyran-2-ylmethyl)ethanamine
CID 77098215

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-4-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of (2S)-2-cyclohexyl-4-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]morpholine (CID 124735985) is (2S)-2-cyclohexyl-4-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for (2S)-2-cyclohexyl-4-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for (2S)-2-cyclohexyl-4-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]morpholine is FCCn1ncnc1CN1CCO[C@@H](C2CCCCC2)C1.
What is the InChIKey of (2S)-2-cyclohexyl-4-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is OGKUMGBLZWFMBX-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25FN4O/c16-6-7-20-15(17-12-18-20)11-19-8-9-21-14(10-19)13-4-2-1-3-5-13/h12-14H,1-11H2/t14-/m1/s1.
What are the key properties of (2S)-2-cyclohexyl-4-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]morpholine?
(2S)-2-cyclohexyl-4-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 296.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-4-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 124735985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).