5-[6-(2-aminoethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one

C14H14N4O — CID 82298805

IUPAC5-[6-(2-aminoethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one
SMILESNCCc1ccc(-c2ccc3c(c2)CC(=O)N3)nn1
InChIInChI=1S/C14H14N4O/c15-6-5-11-2-4-13(18-17-11)9-1-3-12-10(7-9)8-14(19)16-12/h1-4,7H,5-6,8,15H2,(H,16,19)
InChIKeyDLPWSGWGWYXNAU-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.14
Rot. Bonds3

About 5-[6-(2-aminoethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one

5-[6-(2-aminoethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 82298805) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[6-(2-aminoethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[6-(2-aminoethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one
PubChem CID82298805
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-[6-(2-aminoethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one
SMILESNCCc1ccc(-c2ccc3c(c2)CC(=O)N3)nn1
InChIInChI=1S/C14H14N4O/c15-6-5-11-2-4-13(18-17-11)9-1-3-12-10(7-9)8-14(19)16-12/h1-4,7H,5-6,8,15H2,(H,16,19)
InChIKeyDLPWSGWGWYXNAU-UHFFFAOYSA-N
XLogP1.14
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one
CID 82298804
5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one
CID 82473851
5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 82481963
5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one
CID 82479021
5-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one
CID 82360106
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
5-[4-methyl-2-[2-(4-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-[2-(4-methylphenyl)ethyl]pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[6-[2-(4-methylphenyl)ethyl]pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[4-methyl-2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-(2-phenylethyl)pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one
CID 163567470
5-[6-(2-naphthalen-1-ylethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-1-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one);5-[2-(2-pyridin-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one
CID 163491602
5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343328
3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile
CID 116866806
2-[6-(4-ethylphenyl)pyridazin-3-yl]ethanamine
CID 82288033
2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid
CID 82299815

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-aminoethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[6-(2-aminoethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one (CID 82298805) is 5-[6-(2-aminoethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[6-(2-aminoethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[6-(2-aminoethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one is NCCc1ccc(-c2ccc3c(c2)CC(=O)N3)nn1.
What is the InChIKey of 5-[6-(2-aminoethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is DLPWSGWGWYXNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-6-5-11-2-4-13(18-17-11)9-1-3-12-10(7-9)8-14(19)16-12/h1-4,7H,5-6,8,15H2,(H,16,19).
What are the key properties of 5-[6-(2-aminoethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one?
5-[6-(2-aminoethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 254.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-aminoethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 82298805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).