3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one

C10H12N4O2 — CID 136812983

IUPAC3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one
SMILESCOCCn1cnnc1-c1c[nH]ccc1=O
InChIInChI=1S/C10H12N4O2/c1-16-5-4-14-7-12-13-10(14)8-6-11-3-2-9(8)15/h2-3,6-7H,4-5H2,1H3,(H,11,15)
InChIKeyTUARLPVIWWSLQG-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.28
Rot. Bonds4

About 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one

3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one (PubChem CID 136812983) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one
PubChem CID136812983
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one
SMILESCOCCn1cnnc1-c1c[nH]ccc1=O
InChIInChI=1S/C10H12N4O2/c1-16-5-4-14-7-12-13-10(14)8-6-11-3-2-9(8)15/h2-3,6-7H,4-5H2,1H3,(H,11,15)
InChIKeyTUARLPVIWWSLQG-UHFFFAOYSA-N
XLogP0.28
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one
CID 136812997
3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 113301014
3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 113301025
4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole
CID 115393515
3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine
CID 103123713
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4,6-dimethylaniline
CID 63112611
3-(5-bromo-2-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393754
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-nitroaniline
CID 55107302
3-(5-fluoro-2-nitrophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393589
5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline
CID 104559539
3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindazole
CID 103123714
4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole
CID 103512409

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one?
The IUPAC name of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one (CID 136812983) is 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one.
What is the SMILES notation for 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one?
The canonical SMILES for 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one is COCCn1cnnc1-c1c[nH]ccc1=O.
What is the InChIKey of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one?
The InChIKey is TUARLPVIWWSLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-16-5-4-14-7-12-13-10(14)8-6-11-3-2-9(8)15/h2-3,6-7H,4-5H2,1H3,(H,11,15).
What are the key properties of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one?
3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one has a molecular weight of 220.23 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one is sourced from PubChem (CID 136812983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).