4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-hydroxycyclopentyl)methylamino]pyridazin-3-one

C14H23ClN4O2 — CID 106136666

IUPAC4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-hydroxycyclopentyl)methylamino]pyridazin-3-one
SMILESCN(C)CCn1ncc(NCC2CCC(O)C2)c(Cl)c1=O
InChIInChI=1S/C14H23ClN4O2/c1-18(2)5-6-19-14(21)13(15)12(9-17-19)16-8-10-3-4-11(20)7-10/h9-11,16,20H,3-8H2,1-2H3
InChIKeyPVRXERZQHWDMNR-UHFFFAOYSA-N
MW314.82 g/mol
LogP1.03
Rot. Bonds6

About 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-hydroxycyclopentyl)methylamino]pyridazin-3-one

4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-hydroxycyclopentyl)methylamino]pyridazin-3-one (PubChem CID 106136666) has the molecular formula C14H23ClN4O2 and a molecular weight of 314.82 g/mol. Its IUPAC name is 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-hydroxycyclopentyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-hydroxycyclopentyl)methylamino]pyridazin-3-one
PubChem CID106136666
Molecular FormulaC14H23ClN4O2
Molecular Weight314.82 g/mol
Exact Mass314.15
IUPAC Name4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-hydroxycyclopentyl)methylamino]pyridazin-3-one
SMILESCN(C)CCn1ncc(NCC2CCC(O)C2)c(Cl)c1=O
InChIInChI=1S/C14H23ClN4O2/c1-18(2)5-6-19-14(21)13(15)12(9-17-19)16-8-10-3-4-11(20)7-10/h9-11,16,20H,3-8H2,1-2H3
InChIKeyPVRXERZQHWDMNR-UHFFFAOYSA-N
XLogP1.03
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one
CID 103269750
2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one
CID 106136841
4-chloro-2-[2-(dimethylamino)ethyl]-5-(oxan-3-ylmethylamino)pyridazin-3-one
CID 114434456
4-chloro-5-[(3-hydroxycyclobutyl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439761
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-methylpyrrolidin-2-yl)methylamino]pyridazin-3-one
CID 106026691
4-chloro-5-(2-cyclobutylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114442315
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2-hydroxycyclohexyl)amino]pyridazin-3-one
CID 114437014
4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-propylpyridazin-3-one
CID 106136679
4-chloro-5-[(3-hydroxycyclohexyl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 106136812
4-chloro-2-[2-(dimethylamino)ethyl]-5-(morpholin-2-ylmethylamino)pyridazin-3-one
CID 114447048
4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
CID 114437685
4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-ethylbutylamino)pyridazin-3-one
CID 114443287

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-hydroxycyclopentyl)methylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-hydroxycyclopentyl)methylamino]pyridazin-3-one (CID 106136666) is 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-hydroxycyclopentyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-hydroxycyclopentyl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-hydroxycyclopentyl)methylamino]pyridazin-3-one is CN(C)CCn1ncc(NCC2CCC(O)C2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-hydroxycyclopentyl)methylamino]pyridazin-3-one?
The InChIKey is PVRXERZQHWDMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O2/c1-18(2)5-6-19-14(21)13(15)12(9-17-19)16-8-10-3-4-11(20)7-10/h9-11,16,20H,3-8H2,1-2H3.
What are the key properties of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-hydroxycyclopentyl)methylamino]pyridazin-3-one?
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-hydroxycyclopentyl)methylamino]pyridazin-3-one has a molecular weight of 314.82 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-hydroxycyclopentyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 106136666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).