3-[2-(2-hydroxyphenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one

C18H15N3O2 — CID 14742883

IUPAC3-[2-(2-hydroxyphenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc3[nH]c(-c4ccccc4O)cc3c2)=NN1
InChIInChI=1S/C18H15N3O2/c22-17-4-2-1-3-13(17)16-10-12-9-11(5-6-14(12)19-16)15-7-8-18(23)21-20-15/h1-6,9-10,19,22H,7-8H2,(H,21,23)
InChIKeyGGYWIWXWQVNQDR-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.15
Rot. Bonds2

About 3-[2-(2-hydroxyphenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one

3-[2-(2-hydroxyphenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 14742883) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[2-(2-hydroxyphenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-(2-hydroxyphenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID14742883
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name3-[2-(2-hydroxyphenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc3[nH]c(-c4ccccc4O)cc3c2)=NN1
InChIInChI=1S/C18H15N3O2/c22-17-4-2-1-3-13(17)16-10-12-9-11(5-6-14(12)19-16)15-7-8-18(23)21-20-15/h1-6,9-10,19,22H,7-8H2,(H,21,23)
InChIKeyGGYWIWXWQVNQDR-UHFFFAOYSA-N
XLogP3.15
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyphenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[2-(2-hydroxyphenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one (CID 14742883) is 3-[2-(2-hydroxyphenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-(2-hydroxyphenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-(2-hydroxyphenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(c2ccc3[nH]c(-c4ccccc4O)cc3c2)=NN1.
What is the InChIKey of 3-[2-(2-hydroxyphenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is GGYWIWXWQVNQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-17-4-2-1-3-13(17)16-10-12-9-11(5-6-14(12)19-16)15-7-8-18(23)21-20-15/h1-6,9-10,19,22H,7-8H2,(H,21,23).
What are the key properties of 3-[2-(2-hydroxyphenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one?
3-[2-(2-hydroxyphenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 305.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyphenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 14742883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).