2-[(4-chloro-2-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one

C14H15ClN4O — CID 114395515

IUPAC2-[(4-chloro-2-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1Cc1cc(Cl)ccn1
InChIInChI=1S/C14H15ClN4O/c15-11-3-4-16-12(7-11)10-19-14(20)8-13(9-17-19)18-5-1-2-6-18/h3-4,7-9H,1-2,5-6,10H2
InChIKeyRURJCXITIXSHOS-UHFFFAOYSA-N
MW290.75 g/mol
LogP1.94
Rot. Bonds3

About 2-[(4-chloro-2-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one

2-[(4-chloro-2-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 114395515) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[(4-chloro-2-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(4-chloro-2-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID114395515
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name2-[(4-chloro-2-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1Cc1cc(Cl)ccn1
InChIInChI=1S/C14H15ClN4O/c15-11-3-4-16-12(7-11)10-19-14(20)8-13(9-17-19)18-5-1-2-6-18/h3-4,7-9H,1-2,5-6,10H2
InChIKeyRURJCXITIXSHOS-UHFFFAOYSA-N
XLogP1.94
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloro-3-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114395520
2-[(4-chloro-2-pyridinyl)methyl]phthalazin-1-one
CID 79256195
3-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]furan-2-carboxylic acid
CID 114393814
2-[(5-bromo-2-pyridinyl)methyl]-5-morpholin-4-ylpyridazin-3-one
CID 114396906
2-[(E)-4-chlorobut-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394198
2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde
CID 114396121
2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 72930044
2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 79255737
2-[2-(3-fluorophenyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 72871498
2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 72921157
2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394517

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[(4-chloro-2-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 114395515) is 2-[(4-chloro-2-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[(4-chloro-2-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[(4-chloro-2-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one is O=c1cc(N2CCCC2)cnn1Cc1cc(Cl)ccn1.
What is the InChIKey of 2-[(4-chloro-2-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is RURJCXITIXSHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c15-11-3-4-16-12(7-11)10-19-14(20)8-13(9-17-19)18-5-1-2-6-18/h3-4,7-9H,1-2,5-6,10H2.
What are the key properties of 2-[(4-chloro-2-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[(4-chloro-2-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 290.75 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114395515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).