4-chloro-2-cyclopentyl-5-[(3-methoxyphenyl)methylamino]pyridazin-3-one

C17H20ClN3O2 — CID 3065183

IUPAC4-chloro-2-cyclopentyl-5-[(3-methoxyphenyl)methylamino]pyridazin-3-one
SMILESCOc1cccc(CNc2cnn(C3CCCC3)c(=O)c2Cl)c1
InChIInChI=1S/C17H20ClN3O2/c1-23-14-8-4-5-12(9-14)10-19-15-11-20-21(17(22)16(15)18)13-6-2-3-7-13/h4-5,8-9,11,13,19H,2-3,6-7,10H2,1H3
InChIKeyHCPZYUVXKWFUHD-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.63
Rot. Bonds5

About 4-chloro-2-cyclopentyl-5-[(3-methoxyphenyl)methylamino]pyridazin-3-one

4-chloro-2-cyclopentyl-5-[(3-methoxyphenyl)methylamino]pyridazin-3-one (PubChem CID 3065183) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 4-chloro-2-cyclopentyl-5-[(3-methoxyphenyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-cyclopentyl-5-[(3-methoxyphenyl)methylamino]pyridazin-3-one
PubChem CID3065183
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name4-chloro-2-cyclopentyl-5-[(3-methoxyphenyl)methylamino]pyridazin-3-one
SMILESCOc1cccc(CNc2cnn(C3CCCC3)c(=O)c2Cl)c1
InChIInChI=1S/C17H20ClN3O2/c1-23-14-8-4-5-12(9-14)10-19-15-11-20-21(17(22)16(15)18)13-6-2-3-7-13/h4-5,8-9,11,13,19H,2-3,6-7,10H2,1H3
InChIKeyHCPZYUVXKWFUHD-UHFFFAOYSA-N
XLogP3.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopentyl-5-[(3-methoxyphenyl)methylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-cyclopentyl-5-[(3-methoxyphenyl)methylamino]pyridazin-3-one (CID 3065183) is 4-chloro-2-cyclopentyl-5-[(3-methoxyphenyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-cyclopentyl-5-[(3-methoxyphenyl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-cyclopentyl-5-[(3-methoxyphenyl)methylamino]pyridazin-3-one is COc1cccc(CNc2cnn(C3CCCC3)c(=O)c2Cl)c1.
What is the InChIKey of 4-chloro-2-cyclopentyl-5-[(3-methoxyphenyl)methylamino]pyridazin-3-one?
The InChIKey is HCPZYUVXKWFUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-23-14-8-4-5-12(9-14)10-19-15-11-20-21(17(22)16(15)18)13-6-2-3-7-13/h4-5,8-9,11,13,19H,2-3,6-7,10H2,1H3.
What are the key properties of 4-chloro-2-cyclopentyl-5-[(3-methoxyphenyl)methylamino]pyridazin-3-one?
4-chloro-2-cyclopentyl-5-[(3-methoxyphenyl)methylamino]pyridazin-3-one has a molecular weight of 333.82 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopentyl-5-[(3-methoxyphenyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 3065183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).