4-chloro-2-propan-2-yl-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one

C13H21ClN4O — CID 104973090

IUPAC4-chloro-2-propan-2-yl-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
SMILESCC(C)n1ncc(NCC[C@H]2CCCN2)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O/c1-9(2)18-13(19)12(14)11(8-17-18)16-7-5-10-4-3-6-15-10/h8-10,15-16H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyQRKCGVGARIFCKR-SNVBAGLBSA-N
MW284.79 g/mol
LogP2.03
Rot. Bonds5

About 4-chloro-2-propan-2-yl-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one

4-chloro-2-propan-2-yl-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one (PubChem CID 104973090) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-2-propan-2-yl-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-propan-2-yl-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
PubChem CID104973090
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name4-chloro-2-propan-2-yl-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
SMILESCC(C)n1ncc(NCC[C@H]2CCCN2)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O/c1-9(2)18-13(19)12(14)11(8-17-18)16-7-5-10-4-3-6-15-10/h8-10,15-16H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyQRKCGVGARIFCKR-SNVBAGLBSA-N
XLogP2.03
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-methyl-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104973471
4-chloro-2-(2-methylpropyl)-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104973422
4-chloro-2-(2-hydroxyethyl)-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104973221
4-chloro-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 104973109
4-chloro-5-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-ylpyridazin-3-one
CID 106619175
5-(butylamino)-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114432150
4-chloro-5-(2-methylpropylamino)-2-propan-2-ylpyridazin-3-one
CID 114431553
4-chloro-5-[(1-methylpyrrolidin-2-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 106026687
4-bromo-2-(2-methoxyethyl)-5-(2-pyrrolidin-2-ylethylamino)pyridazin-3-one
CID 114794546
4-chloro-5-(cyclohexylamino)-2-propan-2-ylpyridazin-3-one
CID 114431188
5-chloro-2-(cyclopropylmethyl)-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104972885
4-chloro-5-[(1-ethylpyrrolidin-2-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114432598

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-yl-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-propan-2-yl-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one (CID 104973090) is 4-chloro-2-propan-2-yl-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-propan-2-yl-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-propan-2-yl-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one is CC(C)n1ncc(NCC[C@H]2CCCN2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-propan-2-yl-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one?
The InChIKey is QRKCGVGARIFCKR-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-9(2)18-13(19)12(14)11(8-17-18)16-7-5-10-4-3-6-15-10/h8-10,15-16H,3-7H2,1-2H3/t10-/m1/s1.
What are the key properties of 4-chloro-2-propan-2-yl-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one?
4-chloro-2-propan-2-yl-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one has a molecular weight of 284.79 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-yl-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one is sourced from PubChem (CID 104973090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).