4-chloro-5-(2,3-dimethylpyrrolidin-1-yl)-2-methylpyridazin-3-one

C11H16ClN3O — CID 127430194

IUPAC4-chloro-5-(2,3-dimethylpyrrolidin-1-yl)-2-methylpyridazin-3-one
SMILESCC1CCN(c2cnn(C)c(=O)c2Cl)C1C
InChIInChI=1S/C11H16ClN3O/c1-7-4-5-15(8(7)2)9-6-13-14(3)11(16)10(9)12/h6-8H,4-5H2,1-3H3
InChIKeyFDSIIGDAQSBXPZ-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.67
Rot. Bonds1

About 4-chloro-5-(2,3-dimethylpyrrolidin-1-yl)-2-methylpyridazin-3-one

4-chloro-5-(2,3-dimethylpyrrolidin-1-yl)-2-methylpyridazin-3-one (PubChem CID 127430194) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-5-(2,3-dimethylpyrrolidin-1-yl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(2,3-dimethylpyrrolidin-1-yl)-2-methylpyridazin-3-one
PubChem CID127430194
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-5-(2,3-dimethylpyrrolidin-1-yl)-2-methylpyridazin-3-one
SMILESCC1CCN(c2cnn(C)c(=O)c2Cl)C1C
InChIInChI=1S/C11H16ClN3O/c1-7-4-5-15(8(7)2)9-6-13-14(3)11(16)10(9)12/h6-8H,4-5H2,1-3H3
InChIKeyFDSIIGDAQSBXPZ-UHFFFAOYSA-N
XLogP1.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(1-Aminoethyl)pyrrolidin-1-yl]-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114447142
4-chloro-2-methyl-5-(1-pyrrolidinyl)-3(2H)-pyridazinone
CID 33286634
5-chloro-4-[(3R)-3-ethylpyrrolidin-1-yl]-1H-pyridazin-6-one
CID 173954160
4-chloro-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpyridazin-3-one
CID 8031870
4-chloro-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-methylpyridazin-3-one
CID 8031881
4-chloro-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpyridazin-3-one
CID 8031894
4-chloro-2-ethyl-5-(4-methylpiperidin-1-yl)pyridazin-3(2H)-one
CID 8035028
4-chloro-5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 14910724
4-chloro-5-(3,5-dimethylpiperidin-1-yl)-2-methylpyridazin-3(2H)-one
CID 17582782
4-Chloro-5-(4-methylpiperidin-1-yl)-2-propan-2-ylpyridazin-3-one
CID 19245583
4-Chloro-5-(3-methylpiperidin-1-yl)-2-propan-2-ylpyridazin-3-one
CID 19245584
4-chloro-2-methyl-5-[(3R)-3-methylpiperidin-1-yl]pyridazin-3-one
CID 33286688

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2,3-dimethylpyrrolidin-1-yl)-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(2,3-dimethylpyrrolidin-1-yl)-2-methylpyridazin-3-one (CID 127430194) is 4-chloro-5-(2,3-dimethylpyrrolidin-1-yl)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(2,3-dimethylpyrrolidin-1-yl)-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(2,3-dimethylpyrrolidin-1-yl)-2-methylpyridazin-3-one is CC1CCN(c2cnn(C)c(=O)c2Cl)C1C.
What is the InChIKey of 4-chloro-5-(2,3-dimethylpyrrolidin-1-yl)-2-methylpyridazin-3-one?
The InChIKey is FDSIIGDAQSBXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-4-5-15(8(7)2)9-6-13-14(3)11(16)10(9)12/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-chloro-5-(2,3-dimethylpyrrolidin-1-yl)-2-methylpyridazin-3-one?
4-chloro-5-(2,3-dimethylpyrrolidin-1-yl)-2-methylpyridazin-3-one has a molecular weight of 241.72 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2,3-dimethylpyrrolidin-1-yl)-2-methylpyridazin-3-one is sourced from PubChem (CID 127430194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).