1-(1H-indol-3-yl)-2-pyridazin-3-ylethanone

C14H11N3O — CID 116832938

IUPAC1-(1H-indol-3-yl)-2-pyridazin-3-ylethanone
SMILESO=C(Cc1cccnn1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H11N3O/c18-14(8-10-4-3-7-16-17-10)12-9-15-13-6-2-1-5-11(12)13/h1-7,9,15H,8H2
InChIKeyVSRADFUNKGVLAG-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.38
Rot. Bonds3

About 1-(1H-indol-3-yl)-2-pyridazin-3-ylethanone

1-(1H-indol-3-yl)-2-pyridazin-3-ylethanone (PubChem CID 116832938) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-pyridazin-3-ylethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-pyridazin-3-ylethanone
PubChem CID116832938
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name1-(1H-indol-3-yl)-2-pyridazin-3-ylethanone
SMILESO=C(Cc1cccnn1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H11N3O/c18-14(8-10-4-3-7-16-17-10)12-9-15-13-6-2-1-5-11(12)13/h1-7,9,15H,8H2
InChIKeyVSRADFUNKGVLAG-UHFFFAOYSA-N
XLogP2.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339237
2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339236
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone
CID 63490590
[2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid
CID 102129257
2-(3-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339255
1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone
CID 588980
1-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone
CID 6938363
1-(1H-indol-3-yl)-3-methoxypropan-1-one
CID 163900089
3-amino-1-(1H-indol-3-yl)butan-1-one
CID 116915601
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-pyridazin-3-ylethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-pyridazin-3-ylethanone (CID 116832938) is 1-(1H-indol-3-yl)-2-pyridazin-3-ylethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-pyridazin-3-ylethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-pyridazin-3-ylethanone is O=C(Cc1cccnn1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-2-pyridazin-3-ylethanone?
The InChIKey is VSRADFUNKGVLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-14(8-10-4-3-7-16-17-10)12-9-15-13-6-2-1-5-11(12)13/h1-7,9,15H,8H2.
What are the key properties of 1-(1H-indol-3-yl)-2-pyridazin-3-ylethanone?
1-(1H-indol-3-yl)-2-pyridazin-3-ylethanone has a molecular weight of 237.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-pyridazin-3-ylethanone is sourced from PubChem (CID 116832938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).