methyl 2-[(2-methoxy-2-oxoethyl)-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetate

C12H18N4O5 — CID 107858360

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetate
SMILESCCCc1nc(C(=O)N(CC(=O)OC)CC(=O)OC)n[nH]1
InChIInChI=1S/C12H18N4O5/c1-4-5-8-13-11(15-14-8)12(19)16(6-9(17)20-2)7-10(18)21-3/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyFQMQOCXAMJBGDP-UHFFFAOYSA-N
MW298.30 g/mol
LogP-0.45
Rot. Bonds7

About methyl 2-[(2-methoxy-2-oxoethyl)-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetate (PubChem CID 107858360) has the molecular formula C12H18N4O5 and a molecular weight of 298.30 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetate
PubChem CID107858360
Molecular FormulaC12H18N4O5
Molecular Weight298.30 g/mol
Exact Mass298.13
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetate
SMILESCCCc1nc(C(=O)N(CC(=O)OC)CC(=O)OC)n[nH]1
InChIInChI=1S/C12H18N4O5/c1-4-5-8-13-11(15-14-8)12(19)16(6-9(17)20-2)7-10(18)21-3/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyFQMQOCXAMJBGDP-UHFFFAOYSA-N
XLogP-0.45
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2-methoxy-2-oxoethyl)-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetate with MolForge

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Related Compounds

methyl 3-[methyl-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]propanoate
CID 107858335
methyl 2-[(2-methoxy-2-oxoethyl)-(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]acetate
CID 107858356
N-(cyanomethyl)-5-propyl-N-prop-2-ynyl-1H-1,2,4-triazole-3-carboxamide
CID 114208934
N-(2-methylprop-2-enyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 114618480
N-(2-methoxyethoxy)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 82721493
ethyl 5-propyl-1H-1,2,4-triazole-3-carboxylate
CID 63356019
N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 113476111
N-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 106609199
N-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 106599359
N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 106137463
methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955204
methyl 2-[(2-methoxy-2-oxoethyl)-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetate
CID 63997835

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetate (CID 107858360) is methyl 2-[(2-methoxy-2-oxoethyl)-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetate is CCCc1nc(C(=O)N(CC(=O)OC)CC(=O)OC)n[nH]1.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetate?
The InChIKey is FQMQOCXAMJBGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O5/c1-4-5-8-13-11(15-14-8)12(19)16(6-9(17)20-2)7-10(18)21-3/h4-7H2,1-3H3,(H,13,14,15).
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetate has a molecular weight of 298.30 g/mol, XLogP of -0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetate is sourced from PubChem (CID 107858360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).