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

C14H14N4O — CID 82298804

IUPAC5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one
SMILESCNCc1ccc(-c2ccc3c(c2)CC(=O)N3)nn1
InChIInChI=1S/C14H14N4O/c1-15-8-11-3-5-13(18-17-11)9-2-4-12-10(6-9)7-14(19)16-12/h2-6,15H,7-8H2,1H3,(H,16,19)
InChIKeyIQSRBABMWWQOQP-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.36
Rot. Bonds3

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

5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 82298804) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one
PubChem CID82298804
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one
SMILESCNCc1ccc(-c2ccc3c(c2)CC(=O)N3)nn1
InChIInChI=1S/C14H14N4O/c1-15-8-11-3-5-13(18-17-11)9-2-4-12-10(6-9)7-14(19)16-12/h2-6,15H,7-8H2,1H3,(H,16,19)
InChIKeyIQSRBABMWWQOQP-UHFFFAOYSA-N
XLogP1.36
TPSA66.91 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 ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[6-(2-aminoethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one
CID 82298805
5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
CID 82293405
5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one
CID 82473851
5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one
CID 116832496
5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 118033824
5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one
CID 82479021
5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343328
6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95475662
5-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one
CID 82360106
5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one
CID 115227485
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458
5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one
CID 116895355

Frequently Asked Questions

What is the IUPAC name of 5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one (CID 82298804) is 5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one is CNCc1ccc(-c2ccc3c(c2)CC(=O)N3)nn1.
What is the InChIKey of 5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is IQSRBABMWWQOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-15-8-11-3-5-13(18-17-11)9-2-4-12-10(6-9)7-14(19)16-12/h2-6,15H,7-8H2,1H3,(H,16,19).
What are the key properties of 5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one?
5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 254.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 82298804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).