4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one

C12H19ClN4O — CID 114446541

IUPAC4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one
SMILESCCCn1ncc(NCC2CCNC2)c(Cl)c1=O
InChIInChI=1S/C12H19ClN4O/c1-2-5-17-12(18)11(13)10(8-16-17)15-7-9-3-4-14-6-9/h8-9,14-15H,2-7H2,1H3
InChIKeyZEFAVWIPMHQDIS-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.33
Rot. Bonds5

About 4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one

4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one (PubChem CID 114446541) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one
PubChem CID114446541
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one
SMILESCCCn1ncc(NCC2CCNC2)c(Cl)c1=O
InChIInChI=1S/C12H19ClN4O/c1-2-5-17-12(18)11(13)10(8-16-17)15-7-9-3-4-14-6-9/h8-9,14-15H,2-7H2,1H3
InChIKeyZEFAVWIPMHQDIS-UHFFFAOYSA-N
XLogP1.33
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.33
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-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
CID 114444318
4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114436229
4-bromo-2-butyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one
CID 114446545
4-chloro-5-[(5-oxopyrrolidin-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114438693
4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
CID 114444303
2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one
CID 114433066
4-chloro-5-[(2,2-dimethylcyclopropyl)methylamino]-2-propylpyridazin-3-one
CID 114108582
2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one
CID 106136841
4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114436233
4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114442139
4-chloro-2-[2-(dimethylamino)ethyl]-5-(morpholin-2-ylmethylamino)pyridazin-3-one
CID 114447048

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one (CID 114446541) is 4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one is CCCn1ncc(NCC2CCNC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one?
The InChIKey is ZEFAVWIPMHQDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-2-5-17-12(18)11(13)10(8-16-17)15-7-9-3-4-14-6-9/h8-9,14-15H,2-7H2,1H3.
What are the key properties of 4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one?
4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one has a molecular weight of 270.76 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one is sourced from PubChem (CID 114446541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).