methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]triazole-4-carboxylate

C13H16N4O3 — CID 103679966

IUPACmethyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(Cc2ncc(C)c(OC)c2C)nn1
InChIInChI=1S/C13H16N4O3/c1-8-5-14-10(9(2)12(8)19-3)6-17-7-11(15-16-17)13(18)20-4/h5,7H,6H2,1-4H3
InChIKeyDQUICOZHPSHTLE-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.13
Rot. Bonds4

About methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]triazole-4-carboxylate

methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]triazole-4-carboxylate (PubChem CID 103679966) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]triazole-4-carboxylate
PubChem CID103679966
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Namemethyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(Cc2ncc(C)c(OC)c2C)nn1
InChIInChI=1S/C13H16N4O3/c1-8-5-14-10(9(2)12(8)19-3)6-17-7-11(15-16-17)13(18)20-4/h5,7H,6H2,1-4H3
InChIKeyDQUICOZHPSHTLE-UHFFFAOYSA-N
XLogP1.13
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]triazole-4-carboxylate with MolForge

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Related Compounds

N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]triazol-4-yl]methyl]ethanamine
CID 66192341
2-[[4-(1-bromoethyl)triazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 81448896
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62731017
2-[[4-(chloromethyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 62729474
methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 62025945
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrole-2-carboxylic acid
CID 102604585
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
3-(4-methoxycarbonyltriazol-1-yl)propanoic acid
CID 83831589
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2-thiazole-5-carboxamide
CID 138017039
methyl (2S,4R)-4-hydroxy-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 56786277
methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62028233
methyl 1-[(5-ethylthiophen-2-yl)methyl]triazole-4-carboxylate
CID 103107997

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]triazole-4-carboxylate?
The IUPAC name of methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]triazole-4-carboxylate (CID 103679966) is methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]triazole-4-carboxylate.
What is the SMILES notation for methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]triazole-4-carboxylate?
The canonical SMILES for methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]triazole-4-carboxylate is COC(=O)c1cn(Cc2ncc(C)c(OC)c2C)nn1.
What is the InChIKey of methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]triazole-4-carboxylate?
The InChIKey is DQUICOZHPSHTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8-5-14-10(9(2)12(8)19-3)6-17-7-11(15-16-17)13(18)20-4/h5,7H,6H2,1-4H3.
What are the key properties of methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]triazole-4-carboxylate?
methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]triazole-4-carboxylate has a molecular weight of 276.30 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]triazole-4-carboxylate is sourced from PubChem (CID 103679966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).