methyl 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxylate

C11H18N4O3 — CID 113331028

IUPACmethyl 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxylate
SMILESCCn1ncnc1CN1CCOC(C(=O)OC)C1
InChIInChI=1S/C11H18N4O3/c1-3-15-10(12-8-13-15)7-14-4-5-18-9(6-14)11(16)17-2/h8-9H,3-7H2,1-2H3
InChIKeyUUQBCFNXLNNUDF-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.33
Rot. Bonds4

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

methyl 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxylate (PubChem CID 113331028) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxylate
PubChem CID113331028
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Namemethyl 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxylate
SMILESCCn1ncnc1CN1CCOC(C(=O)OC)C1
InChIInChI=1S/C11H18N4O3/c1-3-15-10(12-8-13-15)7-14-4-5-18-9(6-14)11(16)17-2/h8-9H,3-7H2,1-2H3
InChIKeyUUQBCFNXLNNUDF-UHFFFAOYSA-N
XLogP-0.33
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboximidamide
CID 79680379
methyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate
CID 78926351
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
methyl 4-[(3,4-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 78926417
methyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate
CID 78946666
methyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate
CID 115537416
methyl (2R)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxylate
CID 113331160
methyl 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylate
CID 115537106
methyl (3S)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylate
CID 113331061
(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid
CID 99957532
4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide
CID 86786686
methyl 2-[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetate
CID 115537767

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxylate (CID 113331028) is methyl 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxylate is CCn1ncnc1CN1CCOC(C(=O)OC)C1.
What is the InChIKey of methyl 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxylate?
The InChIKey is UUQBCFNXLNNUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-15-10(12-8-13-15)7-14-4-5-18-9(6-14)11(16)17-2/h8-9H,3-7H2,1-2H3.
What are the key properties of methyl 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxylate?
methyl 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxylate has a molecular weight of 254.29 g/mol, XLogP of -0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxylate is sourced from PubChem (CID 113331028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).