5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride

C13H21ClN4O — CID 154899944

IUPAC5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride
SMILESCl.O=c1cc(N2CCCC2)cnn1CC1CCNC1
InChIInChI=1S/C13H20N4O.ClH/c18-13-7-12(16-5-1-2-6-16)9-15-17(13)10-11-3-4-14-8-11;/h7,9,11,14H,1-6,8,10H2;1H
InChIKeyAQKSWKBSKFZGIS-UHFFFAOYSA-N
MW284.79 g/mol
LogP0.87
Rot. Bonds3

About 5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride

5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride (PubChem CID 154899944) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride
PubChem CID154899944
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride
SMILESCl.O=c1cc(N2CCCC2)cnn1CC1CCNC1
InChIInChI=1S/C13H20N4O.ClH/c18-13-7-12(16-5-1-2-6-16)9-15-17(13)10-11-3-4-14-8-11;/h7,9,11,14H,1-6,8,10H2;1H
InChIKeyAQKSWKBSKFZGIS-UHFFFAOYSA-N
XLogP0.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride?
The IUPAC name of 5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride (CID 154899944) is 5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride.
What is the SMILES notation for 5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride?
The canonical SMILES for 5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride is Cl.O=c1cc(N2CCCC2)cnn1CC1CCNC1.
What is the InChIKey of 5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride?
The InChIKey is AQKSWKBSKFZGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.ClH/c18-13-7-12(16-5-1-2-6-16)9-15-17(13)10-11-3-4-14-8-11;/h7,9,11,14H,1-6,8,10H2;1H.
What are the key properties of 5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride?
5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride is sourced from PubChem (CID 154899944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).