2-(3,5-dichloro-4-pyridinyl)-1-[2-(hydroxymethyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone

C15H12Cl2N4O3 — CID 25114802

IUPAC2-(3,5-dichloro-4-pyridinyl)-1-[2-(hydroxymethyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(CO)nc12
InChIInChI=1S/C15H12Cl2N4O3/c1-24-13-3-2-11(21-15(13)19-14(7-22)20-21)12(23)4-8-9(16)5-18-6-10(8)17/h2-3,5-6,22H,4,7H2,1H3
InChIKeyZTKWDRBWYKFQPY-UHFFFAOYSA-N
MW367.19 g/mol
LogP2.36
Rot. Bonds5

About 2-(3,5-dichloro-4-pyridinyl)-1-[2-(hydroxymethyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone

2-(3,5-dichloro-4-pyridinyl)-1-[2-(hydroxymethyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone (PubChem CID 25114802) has the molecular formula C15H12Cl2N4O3 and a molecular weight of 367.19 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-1-[2-(hydroxymethyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-1-[2-(hydroxymethyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone
PubChem CID25114802
Molecular FormulaC15H12Cl2N4O3
Molecular Weight367.19 g/mol
Exact Mass366.03
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-1-[2-(hydroxymethyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(CO)nc12
InChIInChI=1S/C15H12Cl2N4O3/c1-24-13-3-2-11(21-15(13)19-14(7-22)20-21)12(23)4-8-9(16)5-18-6-10(8)17/h2-3,5-6,22H,4,7H2,1H3
InChIKeyZTKWDRBWYKFQPY-UHFFFAOYSA-N
XLogP2.36
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-[2-(hydroxymethyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-[2-(hydroxymethyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone (CID 25114802) is 2-(3,5-dichloro-4-pyridinyl)-1-[2-(hydroxymethyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-1-[2-(hydroxymethyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-1-[2-(hydroxymethyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(CO)nc12.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-1-[2-(hydroxymethyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone?
The InChIKey is ZTKWDRBWYKFQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O3/c1-24-13-3-2-11(21-15(13)19-14(7-22)20-21)12(23)4-8-9(16)5-18-6-10(8)17/h2-3,5-6,22H,4,7H2,1H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-1-[2-(hydroxymethyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone?
2-(3,5-dichloro-4-pyridinyl)-1-[2-(hydroxymethyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone has a molecular weight of 367.19 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-pyridinyl)-1-[2-(hydroxymethyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone is sourced from PubChem (CID 25114802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).