2-pyridazin-3-yl-1-(1H-pyrrol-3-yl)ethanone

C10H9N3O — CID 116832942

IUPAC2-pyridazin-3-yl-1-(1H-pyrrol-3-yl)ethanone
SMILESO=C(Cc1cccnn1)c1cc[nH]c1
InChIInChI=1S/C10H9N3O/c14-10(8-3-5-11-7-8)6-9-2-1-4-12-13-9/h1-5,7,11H,6H2
InChIKeyNXPRCILUSAOIJU-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.23
Rot. Bonds3

About 2-pyridazin-3-yl-1-(1H-pyrrol-3-yl)ethanone

2-pyridazin-3-yl-1-(1H-pyrrol-3-yl)ethanone (PubChem CID 116832942) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-pyridazin-3-yl-1-(1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-pyridazin-3-yl-1-(1H-pyrrol-3-yl)ethanone
PubChem CID116832942
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name2-pyridazin-3-yl-1-(1H-pyrrol-3-yl)ethanone
SMILESO=C(Cc1cccnn1)c1cc[nH]c1
InChIInChI=1S/C10H9N3O/c14-10(8-3-5-11-7-8)6-9-2-1-4-12-13-9/h1-5,7,11H,6H2
InChIKeyNXPRCILUSAOIJU-UHFFFAOYSA-N
XLogP1.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-2-pyridazin-3-ylethanone
CID 116832978
1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone
CID 116832929
2-pyridazin-3-yl-1-thiophen-2-ylethanone
CID 116832889
1-(1H-indol-3-yl)-2-pyridazin-3-ylethanone
CID 116832938
2-fluoro-1-(1H-pyrrol-3-yl)ethanone
CID 88913574
1-(2,4-difluorophenyl)-2-pyridazin-3-ylethanone
CID 18956540
2-(4-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanone
CID 63748738
1-(2-methyl-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylethanone
CID 116832958
1H-pyrrole-3-carboxamide;hydrochloride
CID 57435535
1-(5-chloro-2-methoxyphenyl)-2-pyridazin-3-ylethanone
CID 116832910
2-oxo-2-(1H-pyrrol-3-yl)acetamide
CID 22722169
6-bromo-1-(1H-pyrrol-3-yl)hexan-1-one
CID 10610275

Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-yl-1-(1H-pyrrol-3-yl)ethanone?
The IUPAC name of 2-pyridazin-3-yl-1-(1H-pyrrol-3-yl)ethanone (CID 116832942) is 2-pyridazin-3-yl-1-(1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 2-pyridazin-3-yl-1-(1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 2-pyridazin-3-yl-1-(1H-pyrrol-3-yl)ethanone is O=C(Cc1cccnn1)c1cc[nH]c1.
What is the InChIKey of 2-pyridazin-3-yl-1-(1H-pyrrol-3-yl)ethanone?
The InChIKey is NXPRCILUSAOIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-10(8-3-5-11-7-8)6-9-2-1-4-12-13-9/h1-5,7,11H,6H2.
What are the key properties of 2-pyridazin-3-yl-1-(1H-pyrrol-3-yl)ethanone?
2-pyridazin-3-yl-1-(1H-pyrrol-3-yl)ethanone has a molecular weight of 187.20 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-3-yl-1-(1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 116832942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).