4-chloro-2-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyridazin-3-one

C9H13ClN4O — CID 164607238

IUPAC4-chloro-2-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyridazin-3-one
SMILESCn1ncc(N[C@H]2CCNC2)c(Cl)c1=O
InChIInChI=1S/C9H13ClN4O/c1-14-9(15)8(10)7(5-12-14)13-6-2-3-11-4-6/h5-6,11,13H,2-4H2,1H3/t6-/m0/s1
InChIKeyVEVITSUXBQZDFS-LURJTMIESA-N
MW228.68 g/mol
LogP0.21
Rot. Bonds2

About 4-chloro-2-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyridazin-3-one

4-chloro-2-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyridazin-3-one (PubChem CID 164607238) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyridazin-3-one
PubChem CID164607238
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name4-chloro-2-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyridazin-3-one
SMILESCn1ncc(N[C@H]2CCNC2)c(Cl)c1=O
InChIInChI=1S/C9H13ClN4O/c1-14-9(15)8(10)7(5-12-14)13-6-2-3-11-4-6/h5-6,11,13H,2-4H2,1H3/t6-/m0/s1
InChIKeyVEVITSUXBQZDFS-LURJTMIESA-N
XLogP0.21
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyridazin-3-one (CID 164607238) is 4-chloro-2-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyridazin-3-one is Cn1ncc(N[C@H]2CCNC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyridazin-3-one?
The InChIKey is VEVITSUXBQZDFS-LURJTMIESA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-14-9(15)8(10)7(5-12-14)13-6-2-3-11-4-6/h5-6,11,13H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of 4-chloro-2-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyridazin-3-one?
4-chloro-2-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyridazin-3-one has a molecular weight of 228.68 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyridazin-3-one is sourced from PubChem (CID 164607238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).