3-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]pyridine

C11H14N4O — CID 142354015

IUPAC3-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]pyridine
SMILESCOCCn1c(C)nnc1-c1cccnc1
InChIInChI=1S/C11H14N4O/c1-9-13-14-11(15(9)6-7-16-2)10-4-3-5-12-8-10/h3-5,8H,6-7H2,1-2H3
InChIKeySJKIAPGXFHQBDE-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.29
Rot. Bonds4

About 3-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]pyridine

3-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]pyridine (PubChem CID 142354015) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name3-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]pyridine
PubChem CID142354015
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]pyridine
SMILESCOCCn1c(C)nnc1-c1cccnc1
InChIInChI=1S/C11H14N4O/c1-9-13-14-11(15(9)6-7-16-2)10-4-3-5-12-8-10/h3-5,8H,6-7H2,1-2H3
InChIKeySJKIAPGXFHQBDE-UHFFFAOYSA-N
XLogP1.29
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carbonitrile
CID 91672340
N-(2,6-dichlorophenyl)-2-[[4-(2-methoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16659054
3-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
CID 23969470
4-bromo-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxamide
CID 91672928
methyl 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate
CID 91672211
methyl 4-chloro-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate
CID 91672501
3,5-dipyridin-3-yl-1,2,4-triazol-4-amine
CID 2768013
3-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)pyridine
CID 18726700
2-[[4-(3-methoxypropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 16659236
4-(2-methoxyethyl)-3-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole
CID 3228103
2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 7442288
3-[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]propan-1-one
CID 90366939

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 3-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]pyridine (CID 142354015) is 3-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 3-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 3-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]pyridine is COCCn1c(C)nnc1-c1cccnc1.
What is the InChIKey of 3-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]pyridine?
The InChIKey is SJKIAPGXFHQBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-9-13-14-11(15(9)6-7-16-2)10-4-3-5-12-8-10/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 3-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]pyridine?
3-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]pyridine has a molecular weight of 218.26 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 142354015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).