3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]pyridine-4-carboxylic acid

C11H12N4O3 — CID 81445652

IUPAC3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]pyridine-4-carboxylic acid
SMILESCCn1ncnc1COc1cnccc1C(=O)O
InChIInChI=1S/C11H12N4O3/c1-2-15-10(13-7-14-15)6-18-9-5-12-4-3-8(9)11(16)17/h3-5,7H,2,6H2,1H3,(H,16,17)
InChIKeyQFHVSPPROSMXSY-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.97
Rot. Bonds5

About 3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]pyridine-4-carboxylic acid

3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]pyridine-4-carboxylic acid (PubChem CID 81445652) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]pyridine-4-carboxylic acid
PubChem CID81445652
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]pyridine-4-carboxylic acid
SMILESCCn1ncnc1COc1cnccc1C(=O)O
InChIInChI=1S/C11H12N4O3/c1-2-15-10(13-7-14-15)6-18-9-5-12-4-3-8(9)11(16)17/h3-5,7H,2,6H2,1H3,(H,16,17)
InChIKeyQFHVSPPROSMXSY-UHFFFAOYSA-N
XLogP0.97
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-5-iodobenzoic acid
CID 82995560
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyridine-4-carboxylic acid
CID 81445898
2-chloro-6-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]benzoic acid
CID 113276840
3-chloro-2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]benzoic acid
CID 112611929
1-(3-chloro-4-pyridinyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanone
CID 105111538
3-[(2-ethoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 81445971
3-[(3-propylimidazol-4-yl)methoxy]pyridine-4-carboxylic acid
CID 81445560
3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid
CID 81439619
3-(3-ethoxypropoxy)pyridine-4-carboxylic acid
CID 81446404
3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446238
3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814
3-(3-fluoropropoxy)pyridine-4-carboxylic acid
CID 81446128

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]pyridine-4-carboxylic acid (CID 81445652) is 3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]pyridine-4-carboxylic acid is CCn1ncnc1COc1cnccc1C(=O)O.
What is the InChIKey of 3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]pyridine-4-carboxylic acid?
The InChIKey is QFHVSPPROSMXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-2-15-10(13-7-14-15)6-18-9-5-12-4-3-8(9)11(16)17/h3-5,7H,2,6H2,1H3,(H,16,17).
What are the key properties of 3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]pyridine-4-carboxylic acid?
3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]pyridine-4-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 81445652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).