methyl 1-(2-methoxyethyl)-5-pyridin-4-yltriazole-4-carboxylate

C12H14N4O3 — CID 103105532

IUPACmethyl 1-(2-methoxyethyl)-5-pyridin-4-yltriazole-4-carboxylate
SMILESCOCCn1nnc(C(=O)OC)c1-c1ccncc1
InChIInChI=1S/C12H14N4O3/c1-18-8-7-16-11(9-3-5-13-6-4-9)10(14-15-16)12(17)19-2/h3-6H,7-8H2,1-2H3
InChIKeyPHQCGGARIYOHLB-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.77
Rot. Bonds5

About methyl 1-(2-methoxyethyl)-5-pyridin-4-yltriazole-4-carboxylate

methyl 1-(2-methoxyethyl)-5-pyridin-4-yltriazole-4-carboxylate (PubChem CID 103105532) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is methyl 1-(2-methoxyethyl)-5-pyridin-4-yltriazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxyethyl)-5-pyridin-4-yltriazole-4-carboxylate
PubChem CID103105532
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Namemethyl 1-(2-methoxyethyl)-5-pyridin-4-yltriazole-4-carboxylate
SMILESCOCCn1nnc(C(=O)OC)c1-c1ccncc1
InChIInChI=1S/C12H14N4O3/c1-18-8-7-16-11(9-3-5-13-6-4-9)10(14-15-16)12(17)19-2/h3-6H,7-8H2,1-2H3
InChIKeyPHQCGGARIYOHLB-UHFFFAOYSA-N
XLogP0.77
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-pentyl-5-pyridin-4-yltriazole-4-carboxylate
CID 103105574
methyl 1-(3-methylsulfanylpropyl)-5-pyridin-4-yltriazole-4-carboxylate
CID 103105571
methyl 1-(2-methoxypropyl)-5-pyridin-4-yltriazole-4-carboxylate
CID 103105538
methyl 1-(furan-3-ylmethyl)-5-pyridin-4-yltriazole-4-carboxylate
CID 103105576
methyl 1-pentan-2-yl-5-pyridin-4-yltriazole-4-carboxylate
CID 107886149
methyl 1-(2-methoxyethyl)-5-propan-2-yltriazole-4-carboxylate
CID 102643916
1-[3-(methylamino)-3-oxopropyl]-5-pyridin-4-yltriazole-4-carboxylic acid
CID 102645132
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-pyridin-4-yltriazole-4-carboxylate
CID 4778086
1-(2-aminoethyl)-5-pyridin-4-yltriazole-4-carboxylic acid
CID 102645162
1-(4-methoxybutyl)-5-phenyltriazole-4-carboxylic acid
CID 102642587
1-(2-ethylsulfonylethyl)-5-pyridin-4-yltriazole-4-carboxylic acid
CID 102645056
1-[3-(dimethylamino)propyl]-5-pyridin-4-yltriazole-4-carboxylic acid
CID 102645064

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxyethyl)-5-pyridin-4-yltriazole-4-carboxylate?
The IUPAC name of methyl 1-(2-methoxyethyl)-5-pyridin-4-yltriazole-4-carboxylate (CID 103105532) is methyl 1-(2-methoxyethyl)-5-pyridin-4-yltriazole-4-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxyethyl)-5-pyridin-4-yltriazole-4-carboxylate?
The canonical SMILES for methyl 1-(2-methoxyethyl)-5-pyridin-4-yltriazole-4-carboxylate is COCCn1nnc(C(=O)OC)c1-c1ccncc1.
What is the InChIKey of methyl 1-(2-methoxyethyl)-5-pyridin-4-yltriazole-4-carboxylate?
The InChIKey is PHQCGGARIYOHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-18-8-7-16-11(9-3-5-13-6-4-9)10(14-15-16)12(17)19-2/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 1-(2-methoxyethyl)-5-pyridin-4-yltriazole-4-carboxylate?
methyl 1-(2-methoxyethyl)-5-pyridin-4-yltriazole-4-carboxylate has a molecular weight of 262.27 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxyethyl)-5-pyridin-4-yltriazole-4-carboxylate is sourced from PubChem (CID 103105532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).