6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)-1-benzofuran-3-one

C15H15N3O3 — CID 107077914

IUPAC6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)-1-benzofuran-3-one
SMILESO=C1COc2cc(OCc3nnc4n3CCCC4)ccc21
InChIInChI=1S/C15H15N3O3/c19-12-8-21-13-7-10(4-5-11(12)13)20-9-15-17-16-14-3-1-2-6-18(14)15/h4-5,7H,1-3,6,8-9H2
InChIKeyLZJDCUBNNFPBFF-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.77
Rot. Bonds3

About 6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)-1-benzofuran-3-one

6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)-1-benzofuran-3-one (PubChem CID 107077914) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)-1-benzofuran-3-one.

Molecular Properties

Compound Name6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)-1-benzofuran-3-one
PubChem CID107077914
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)-1-benzofuran-3-one
SMILESO=C1COc2cc(OCc3nnc4n3CCCC4)ccc21
InChIInChI=1S/C15H15N3O3/c19-12-8-21-13-7-10(4-5-11(12)13)20-9-15-17-16-14-3-1-2-6-18(14)15/h4-5,7H,1-3,6,8-9H2
InChIKeyLZJDCUBNNFPBFF-UHFFFAOYSA-N
XLogP1.77
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)-1-benzofuran-3-one with MolForge

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Related Compounds

3-[(4-ethylphenoxy)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 7566122
N-methyl-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanamine
CID 107076535
(1R)-1-[2-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine
CID 107718041
2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide
CID 60772542
N-methyl-1-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine
CID 107076578
4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)benzoic acid
CID 107076427
6-(3,3-dimethylbutoxy)-1-benzofuran-3-one
CID 55025234
3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoic acid
CID 16776711
6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one
CID 66474358
6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-3-one
CID 60771964
4-fluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)aniline
CID 107076335
2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)acetic acid
CID 62875346

Frequently Asked Questions

What is the IUPAC name of 6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)-1-benzofuran-3-one?
The IUPAC name of 6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)-1-benzofuran-3-one (CID 107077914) is 6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)-1-benzofuran-3-one.
What is the SMILES notation for 6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)-1-benzofuran-3-one?
The canonical SMILES for 6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)-1-benzofuran-3-one is O=C1COc2cc(OCc3nnc4n3CCCC4)ccc21.
What is the InChIKey of 6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)-1-benzofuran-3-one?
The InChIKey is LZJDCUBNNFPBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-12-8-21-13-7-10(4-5-11(12)13)20-9-15-17-16-14-3-1-2-6-18(14)15/h4-5,7H,1-3,6,8-9H2.
What are the key properties of 6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)-1-benzofuran-3-one?
6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)-1-benzofuran-3-one has a molecular weight of 285.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)-1-benzofuran-3-one is sourced from PubChem (CID 107077914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).