methyl 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylate

C12H18N4O4 — CID 107858387

IUPACmethyl 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylate
SMILESCCCc1nc(C(=O)N2CCOC(C(=O)OC)C2)n[nH]1
InChIInChI=1S/C12H18N4O4/c1-3-4-9-13-10(15-14-9)11(17)16-5-6-20-8(7-16)12(18)19-2/h8H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyFYWVYMOTQLLKHR-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.23
Rot. Bonds4

About methyl 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylate

methyl 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylate (PubChem CID 107858387) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylate
PubChem CID107858387
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Namemethyl 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylate
SMILESCCCc1nc(C(=O)N2CCOC(C(=O)OC)C2)n[nH]1
InChIInChI=1S/C12H18N4O4/c1-3-4-9-13-10(15-14-9)11(17)16-5-6-20-8(7-16)12(18)19-2/h8H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyFYWVYMOTQLLKHR-UHFFFAOYSA-N
XLogP-0.23
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(aminomethyl)morpholin-4-yl]-(5-propyl-1H-1,2,4-triazol-3-yl)methanone
CID 114398187
methyl 1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)pyrrolidine-3-carboxylate
CID 114009914
(3R)-1-(5-propyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid
CID 81119527
methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate
CID 78927141
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-propyl-1H-1,2,4-triazol-3-yl)methanone
CID 103357589
methyl 4-(2,4,5-trimethylfuran-3-carbonyl)morpholine-2-carboxylate
CID 78926646
methyl 4-heptanoylmorpholine-2-carboxylate
CID 78926830
methyl 4-(piperidine-1-carbonyl)morpholine-2-carboxylate
CID 78927190
methyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate
CID 115610744
methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
CID 78927137
4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-3-carboxamide
CID 83096513
4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 119239685

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylate (CID 107858387) is methyl 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylate is CCCc1nc(C(=O)N2CCOC(C(=O)OC)C2)n[nH]1.
What is the InChIKey of methyl 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylate?
The InChIKey is FYWVYMOTQLLKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-3-4-9-13-10(15-14-9)11(17)16-5-6-20-8(7-16)12(18)19-2/h8H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of methyl 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylate?
methyl 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylate has a molecular weight of 282.30 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylate is sourced from PubChem (CID 107858387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).