4-chloro-5-[(5-oxopyrrolidin-2-yl)methylamino]-2-propylpyridazin-3-one

C12H17ClN4O2 — CID 114438693

IUPAC4-chloro-5-[(5-oxopyrrolidin-2-yl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC2CCC(=O)N2)c(Cl)c1=O
InChIInChI=1S/C12H17ClN4O2/c1-2-5-17-12(19)11(13)9(7-15-17)14-6-8-3-4-10(18)16-8/h7-8,14H,2-6H2,1H3,(H,16,18)
InChIKeyHJABMFLERPGFQQ-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.00
Rot. Bonds5

About 4-chloro-5-[(5-oxopyrrolidin-2-yl)methylamino]-2-propylpyridazin-3-one

4-chloro-5-[(5-oxopyrrolidin-2-yl)methylamino]-2-propylpyridazin-3-one (PubChem CID 114438693) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-chloro-5-[(5-oxopyrrolidin-2-yl)methylamino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(5-oxopyrrolidin-2-yl)methylamino]-2-propylpyridazin-3-one
PubChem CID114438693
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name4-chloro-5-[(5-oxopyrrolidin-2-yl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC2CCC(=O)N2)c(Cl)c1=O
InChIInChI=1S/C12H17ClN4O2/c1-2-5-17-12(19)11(13)9(7-15-17)14-6-8-3-4-10(18)16-8/h7-8,14H,2-6H2,1H3,(H,16,18)
InChIKeyHJABMFLERPGFQQ-UHFFFAOYSA-N
XLogP1.00
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
CID 114437685
4-chloro-5-[(2,2-dimethylcyclopropyl)methylamino]-2-propylpyridazin-3-one
CID 114108582
4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one
CID 114446541
4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114436229
2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one
CID 114433066
2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one
CID 106136841
2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114437934
4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114442139
5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one
CID 114442009
5-[[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]methyl]pyrrolidin-2-one
CID 66027289
4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one
CID 114443047
4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114436233

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(5-oxopyrrolidin-2-yl)methylamino]-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(5-oxopyrrolidin-2-yl)methylamino]-2-propylpyridazin-3-one (CID 114438693) is 4-chloro-5-[(5-oxopyrrolidin-2-yl)methylamino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(5-oxopyrrolidin-2-yl)methylamino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(5-oxopyrrolidin-2-yl)methylamino]-2-propylpyridazin-3-one is CCCn1ncc(NCC2CCC(=O)N2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(5-oxopyrrolidin-2-yl)methylamino]-2-propylpyridazin-3-one?
The InChIKey is HJABMFLERPGFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-2-5-17-12(19)11(13)9(7-15-17)14-6-8-3-4-10(18)16-8/h7-8,14H,2-6H2,1H3,(H,16,18).
What are the key properties of 4-chloro-5-[(5-oxopyrrolidin-2-yl)methylamino]-2-propylpyridazin-3-one?
4-chloro-5-[(5-oxopyrrolidin-2-yl)methylamino]-2-propylpyridazin-3-one has a molecular weight of 284.75 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(5-oxopyrrolidin-2-yl)methylamino]-2-propylpyridazin-3-one is sourced from PubChem (CID 114438693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).