methyl 2-[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetate

C13H22N4O3 — CID 115537767

IUPACmethyl 2-[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2ncnn2C(C)C)CCO1
InChIInChI=1S/C13H22N4O3/c1-10(2)17-12(14-9-15-17)8-16-4-5-20-11(7-16)6-13(18)19-3/h9-11H,4-8H2,1-3H3
InChIKeyOUNBUZUCGRVCRW-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.62
Rot. Bonds5

About methyl 2-[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetate

methyl 2-[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetate (PubChem CID 115537767) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 2-[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetate
PubChem CID115537767
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Namemethyl 2-[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2ncnn2C(C)C)CCO1
InChIInChI=1S/C13H22N4O3/c1-10(2)17-12(14-9-15-17)8-16-4-5-20-11(7-16)6-13(18)19-3/h9-11H,4-8H2,1-3H3
InChIKeyOUNBUZUCGRVCRW-UHFFFAOYSA-N
XLogP0.62
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate
CID 115537740
methyl 2-[4-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate
CID 115537759
methyl 2-[4-[(1-butan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]acetate
CID 115537733
methyl 5-[[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]methyl]furan-2-carboxylate
CID 79827347
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669620
methyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate
CID 79827344
methyl 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetate
CID 79822612
methyl 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxylate
CID 113331028
methyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate
CID 115873221
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate
CID 79822519
methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate
CID 104969525

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetate (CID 115537767) is methyl 2-[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetate is COC(=O)CC1CN(Cc2ncnn2C(C)C)CCO1.
What is the InChIKey of methyl 2-[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetate?
The InChIKey is OUNBUZUCGRVCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-10(2)17-12(14-9-15-17)8-16-4-5-20-11(7-16)6-13(18)19-3/h9-11H,4-8H2,1-3H3.
What are the key properties of methyl 2-[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetate?
methyl 2-[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetate has a molecular weight of 282.34 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetate is sourced from PubChem (CID 115537767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).