4-amino-2-phenyl-5-pyrrolidin-1-ylpyridazin-3-one;hydrochloride

C14H17ClN4O — CID 2842617

IUPAC4-amino-2-phenyl-5-pyrrolidin-1-ylpyridazin-3-one;hydrochloride
SMILESCl.Nc1c(N2CCCC2)cnn(-c2ccccc2)c1=O
InChIInChI=1S/C14H16N4O.ClH/c15-13-12(17-8-4-5-9-17)10-16-18(14(13)19)11-6-2-1-3-7-11;/h1-3,6-7,10H,4-5,8-9,15H2;1H
InChIKeyWPZBQSMNIMBQQK-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.84
Rot. Bonds2

About 4-amino-2-phenyl-5-pyrrolidin-1-ylpyridazin-3-one;hydrochloride

4-amino-2-phenyl-5-pyrrolidin-1-ylpyridazin-3-one;hydrochloride (PubChem CID 2842617) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-amino-2-phenyl-5-pyrrolidin-1-ylpyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name4-amino-2-phenyl-5-pyrrolidin-1-ylpyridazin-3-one;hydrochloride
PubChem CID2842617
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-amino-2-phenyl-5-pyrrolidin-1-ylpyridazin-3-one;hydrochloride
SMILESCl.Nc1c(N2CCCC2)cnn(-c2ccccc2)c1=O
InChIInChI=1S/C14H16N4O.ClH/c15-13-12(17-8-4-5-9-17)10-16-18(14(13)19)11-6-2-1-3-7-11;/h1-3,6-7,10H,4-5,8-9,15H2;1H
InChIKeyWPZBQSMNIMBQQK-UHFFFAOYSA-N
XLogP1.84
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-phenyl-5-pyrrolidin-1-ylpyridazin-3-one;hydrochloride?
The IUPAC name of 4-amino-2-phenyl-5-pyrrolidin-1-ylpyridazin-3-one;hydrochloride (CID 2842617) is 4-amino-2-phenyl-5-pyrrolidin-1-ylpyridazin-3-one;hydrochloride.
What is the SMILES notation for 4-amino-2-phenyl-5-pyrrolidin-1-ylpyridazin-3-one;hydrochloride?
The canonical SMILES for 4-amino-2-phenyl-5-pyrrolidin-1-ylpyridazin-3-one;hydrochloride is Cl.Nc1c(N2CCCC2)cnn(-c2ccccc2)c1=O.
What is the InChIKey of 4-amino-2-phenyl-5-pyrrolidin-1-ylpyridazin-3-one;hydrochloride?
The InChIKey is WPZBQSMNIMBQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O.ClH/c15-13-12(17-8-4-5-9-17)10-16-18(14(13)19)11-6-2-1-3-7-11;/h1-3,6-7,10H,4-5,8-9,15H2;1H.
What are the key properties of 4-amino-2-phenyl-5-pyrrolidin-1-ylpyridazin-3-one;hydrochloride?
4-amino-2-phenyl-5-pyrrolidin-1-ylpyridazin-3-one;hydrochloride has a molecular weight of 292.77 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-phenyl-5-pyrrolidin-1-ylpyridazin-3-one;hydrochloride is sourced from PubChem (CID 2842617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).