(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine

C14H20N4O2 — CID 129332140

IUPAC(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine
SMILESCCn1cnnc1[C@@H]1CN(Cc2ccc(C)o2)CCO1
InChIInChI=1S/C14H20N4O2/c1-3-18-10-15-16-14(18)13-9-17(6-7-19-13)8-12-5-4-11(2)20-12/h4-5,10,13H,3,6-9H2,1-2H3/t13-/m0/s1
InChIKeyCYCYCMJFLNMIKU-ZDUSSCGKSA-N
MW276.34 g/mol
LogP1.77
Rot. Bonds4

About (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine

(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine (PubChem CID 129332140) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine
PubChem CID129332140
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine
SMILESCCn1cnnc1[C@@H]1CN(Cc2ccc(C)o2)CCO1
InChIInChI=1S/C14H20N4O2/c1-3-18-10-15-16-14(18)13-9-17(6-7-19-13)8-12-5-4-11(2)20-12/h4-5,10,13H,3,6-9H2,1-2H3/t13-/m0/s1
InChIKeyCYCYCMJFLNMIKU-ZDUSSCGKSA-N
XLogP1.77
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-(thiophen-2-ylmethyl)morpholine
CID 129344159
(2R)-4-[(5-ethylfuran-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129336988
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
(2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129338594
(2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129331530
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine
CID 129337565
(2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129332069
(1R)-2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(4-methylphenyl)ethanol
CID 129333633
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 129340570
4-[2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile
CID 129332456

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine?
The IUPAC name of (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine (CID 129332140) is (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine is CCn1cnnc1[C@@H]1CN(Cc2ccc(C)o2)CCO1.
What is the InChIKey of (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine?
The InChIKey is CYCYCMJFLNMIKU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-18-10-15-16-14(18)13-9-17(6-7-19-13)8-12-5-4-11(2)20-12/h4-5,10,13H,3,6-9H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine?
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine has a molecular weight of 276.34 g/mol, XLogP of 1.77, 4 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-[(5-methylfuran-2-yl)methyl]morpholine is sourced from PubChem (CID 129332140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).