(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]morpholine

C17H30N4O2 — CID 129330303

IUPAC(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]morpholine
SMILESCCn1cnnc1[C@@H]1CN(CCO[C@H]2CCCCC2C)CCO1
InChIInChI=1S/C17H30N4O2/c1-3-21-13-18-19-17(21)16-12-20(9-11-23-16)8-10-22-15-7-5-4-6-14(15)2/h13-16H,3-12H2,1-2H3/t14?,15-,16-/m0/s1
InChIKeyALBGLEIUYRGSEN-YVZMLIKISA-N
MW322.45 g/mol
LogP2.27
Rot. Bonds6

About (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]morpholine

(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]morpholine (PubChem CID 129330303) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]morpholine
PubChem CID129330303
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]morpholine
SMILESCCn1cnnc1[C@@H]1CN(CCO[C@H]2CCCCC2C)CCO1
InChIInChI=1S/C17H30N4O2/c1-3-21-13-18-19-17(21)16-12-20(9-11-23-16)8-10-22-15-7-5-4-6-14(15)2/h13-16H,3-12H2,1-2H3/t14?,15-,16-/m0/s1
InChIKeyALBGLEIUYRGSEN-YVZMLIKISA-N
XLogP2.27
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]morpholine?
The IUPAC name of (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]morpholine (CID 129330303) is (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]morpholine.
What is the SMILES notation for (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]morpholine?
The canonical SMILES for (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]morpholine is CCn1cnnc1[C@@H]1CN(CCO[C@H]2CCCCC2C)CCO1.
What is the InChIKey of (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]morpholine?
The InChIKey is ALBGLEIUYRGSEN-YVZMLIKISA-N. The full InChI is InChI=1S/C17H30N4O2/c1-3-21-13-18-19-17(21)16-12-20(9-11-23-16)8-10-22-15-7-5-4-6-14(15)2/h13-16H,3-12H2,1-2H3/t14?,15-,16-/m0/s1.
What are the key properties of (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]morpholine?
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]morpholine has a molecular weight of 322.45 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]morpholine is sourced from PubChem (CID 129330303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).