(6S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine

C13H24N4O2 — CID 129345524

IUPAC(6S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCCn1ncnc1CN1C[C@@H](COC)OC(C)(C)C1
InChIInChI=1S/C13H24N4O2/c1-5-17-12(14-10-15-17)7-16-6-11(8-18-4)19-13(2,3)9-16/h10-11H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyNIUQDWZRCHGKST-NSHDSACASA-N
MW268.36 g/mol
LogP0.92
Rot. Bonds5

About (6S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine

(6S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine (PubChem CID 129345524) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (6S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name(6S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
PubChem CID129345524
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name(6S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCCn1ncnc1CN1C[C@@H](COC)OC(C)(C)C1
InChIInChI=1S/C13H24N4O2/c1-5-17-12(14-10-15-17)7-16-6-11(8-18-4)19-13(2,3)9-16/h10-11H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyNIUQDWZRCHGKST-NSHDSACASA-N
XLogP0.92
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine with MolForge

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Launch Full Analysis

Related Compounds

(6R)-6-(methoxymethyl)-2,2-dimethyl-4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 129345619
4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-6-(phenoxymethyl)morpholine
CID 128976072
(6S)-6-(methoxymethyl)-2,2-dimethyl-4-(pyrimidin-2-ylmethyl)morpholine
CID 129350850
(6R)-6-(methoxymethyl)-2,2-dimethyl-4-(pyrimidin-2-ylmethyl)morpholine
CID 129350849
4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 128978245
4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 128975934
(6S)-6-(methoxymethyl)-2,2-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholine
CID 129491465
2-[[6,6-dimethyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 128975963
4-[[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]pyridin-2-amine
CID 128975935
(6S)-4-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 167885794
6-(methoxymethyl)-2,2-dimethyl-4-[(3-methylquinoxalin-2-yl)methyl]morpholine
CID 128978215
6-(methoxymethyl)-2,2-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine
CID 154738911

Frequently Asked Questions

What is the IUPAC name of (6S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
The IUPAC name of (6S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine (CID 129345524) is (6S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine.
What is the SMILES notation for (6S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
The canonical SMILES for (6S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine is CCn1ncnc1CN1C[C@@H](COC)OC(C)(C)C1.
What is the InChIKey of (6S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
The InChIKey is NIUQDWZRCHGKST-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-17-12(14-10-15-17)7-16-6-11(8-18-4)19-13(2,3)9-16/h10-11H,5-9H2,1-4H3/t11-/m0/s1.
What are the key properties of (6S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
(6S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine has a molecular weight of 268.36 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 129345524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).