methyl 3-[2-[[5-(5-chloro-2-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetyl]oxypropanoate

C14H15ClN4O5 — CID 170442355

IUPACmethyl 3-[2-[[5-(5-chloro-2-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetyl]oxypropanoate
SMILESCOC(=O)CCOC(=O)COc1nc(-c2ccc(Cl)cn2)n(C)n1
InChIInChI=1S/C14H15ClN4O5/c1-19-13(10-4-3-9(15)7-16-10)17-14(18-19)24-8-12(21)23-6-5-11(20)22-2/h3-4,7H,5-6,8H2,1-2H3
InChIKeyQLAMJVGHUCSZPI-UHFFFAOYSA-N
MW354.75 g/mol
LogP1.02
Rot. Bonds7

About methyl 3-[2-[[5-(5-chloro-2-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetyl]oxypropanoate

methyl 3-[2-[[5-(5-chloro-2-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetyl]oxypropanoate (PubChem CID 170442355) has the molecular formula C14H15ClN4O5 and a molecular weight of 354.75 g/mol. Its IUPAC name is methyl 3-[2-[[5-(5-chloro-2-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetyl]oxypropanoate.

Molecular Properties

Compound Namemethyl 3-[2-[[5-(5-chloro-2-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetyl]oxypropanoate
PubChem CID170442355
Molecular FormulaC14H15ClN4O5
Molecular Weight354.75 g/mol
Exact Mass354.07
IUPAC Namemethyl 3-[2-[[5-(5-chloro-2-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetyl]oxypropanoate
SMILESCOC(=O)CCOC(=O)COc1nc(-c2ccc(Cl)cn2)n(C)n1
InChIInChI=1S/C14H15ClN4O5/c1-19-13(10-4-3-9(15)7-16-10)17-14(18-19)24-8-12(21)23-6-5-11(20)22-2/h3-4,7H,5-6,8H2,1-2H3
InChIKeyQLAMJVGHUCSZPI-UHFFFAOYSA-N
XLogP1.02
TPSA105.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.75
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 3-[2-[[5-(5-chloro-2-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetyl]oxypropanoate with MolForge

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Related Compounds

(2-methoxy-2-oxoethyl) 2-[[5-(5-chloro-2-pyridinyl)-1-hydroxy-1,2,4-triazol-3-yl]oxy]acetate
CID 170443493
propyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
CID 174197202
ethyl 2-[[5-(3-chloro-4-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetate
CID 170442342
methyl 2-[[5-(3-fluoro-2-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetate
CID 170442352
ethyl 2-[5-(5-chloro-2-pyridinyl)-1-hydroxypyrazol-3-yl]oxyacetate
CID 174197848
methyl 2-[[5-(6-chloro-3-pyridinyl)-1-hydroxy-1,2,4-triazol-3-yl]oxy]acetate
CID 170443306
methyl 2-[[5-(2,6-difluorophenyl)-1-hydroxy-1,2,4-triazol-3-yl]oxy]acetate
CID 167233702
(2R)-2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820649
methyl 3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoate
CID 78977347
oxolan-2-ylmethyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
CID 174197198
methyl 2-[[5-(4-fluoro-2-pyridinyl)-1-hydroxy-1,2,4-triazol-3-yl]oxy]acetate
CID 170443408
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590310

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[[5-(5-chloro-2-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetyl]oxypropanoate?
The IUPAC name of methyl 3-[2-[[5-(5-chloro-2-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetyl]oxypropanoate (CID 170442355) is methyl 3-[2-[[5-(5-chloro-2-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetyl]oxypropanoate.
What is the SMILES notation for methyl 3-[2-[[5-(5-chloro-2-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetyl]oxypropanoate?
The canonical SMILES for methyl 3-[2-[[5-(5-chloro-2-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetyl]oxypropanoate is COC(=O)CCOC(=O)COc1nc(-c2ccc(Cl)cn2)n(C)n1.
What is the InChIKey of methyl 3-[2-[[5-(5-chloro-2-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetyl]oxypropanoate?
The InChIKey is QLAMJVGHUCSZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O5/c1-19-13(10-4-3-9(15)7-16-10)17-14(18-19)24-8-12(21)23-6-5-11(20)22-2/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of methyl 3-[2-[[5-(5-chloro-2-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetyl]oxypropanoate?
methyl 3-[2-[[5-(5-chloro-2-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetyl]oxypropanoate has a molecular weight of 354.75 g/mol, XLogP of 1.02, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[[5-(5-chloro-2-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetyl]oxypropanoate is sourced from PubChem (CID 170442355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).