4-chloro-2-(2-methylpropyl)-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one

C14H23ClN4O — CID 104973422

IUPAC4-chloro-2-(2-methylpropyl)-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
SMILESCC(C)Cn1ncc(NCC[C@@H]2CCCN2)c(Cl)c1=O
InChIInChI=1S/C14H23ClN4O/c1-10(2)9-19-14(20)13(15)12(8-18-19)17-7-5-11-4-3-6-16-11/h8,10-11,16-17H,3-7,9H2,1-2H3/t11-/m0/s1
InChIKeyWINYWXNQQAPCKG-NSHDSACASA-N
MW298.82 g/mol
LogP2.11
Rot. Bonds6

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

4-chloro-2-(2-methylpropyl)-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one (PubChem CID 104973422) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 4-chloro-2-(2-methylpropyl)-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-methylpropyl)-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
PubChem CID104973422
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name4-chloro-2-(2-methylpropyl)-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
SMILESCC(C)Cn1ncc(NCC[C@@H]2CCCN2)c(Cl)c1=O
InChIInChI=1S/C14H23ClN4O/c1-10(2)9-19-14(20)13(15)12(8-18-19)17-7-5-11-4-3-6-16-11/h8,10-11,16-17H,3-7,9H2,1-2H3/t11-/m0/s1
InChIKeyWINYWXNQQAPCKG-NSHDSACASA-N
XLogP2.11
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-propan-2-yl-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104973090
4-chloro-2-(2-hydroxyethyl)-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104973221
4-chloro-2-methyl-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104973471
4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434019
4-chloro-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 104973109
4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
CID 114444303
4-chloro-2-(2-methylpropyl)-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114436816
4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114444576
4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114266993
4-chloro-2-(2-methylpropyl)-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridazin-3-one
CID 107489264
4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one
CID 114432372

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methylpropyl)-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-methylpropyl)-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one (CID 104973422) is 4-chloro-2-(2-methylpropyl)-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-methylpropyl)-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-methylpropyl)-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one is CC(C)Cn1ncc(NCC[C@@H]2CCCN2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-(2-methylpropyl)-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one?
The InChIKey is WINYWXNQQAPCKG-NSHDSACASA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-10(2)9-19-14(20)13(15)12(8-18-19)17-7-5-11-4-3-6-16-11/h8,10-11,16-17H,3-7,9H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-chloro-2-(2-methylpropyl)-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one?
4-chloro-2-(2-methylpropyl)-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one has a molecular weight of 298.82 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methylpropyl)-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one is sourced from PubChem (CID 104973422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).