4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one

C11H16ClN3O2 — CID 103269750

IUPAC4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one
SMILESCn1ncc(NCC2CCC(O)C2)c(Cl)c1=O
InChIInChI=1S/C11H16ClN3O2/c1-15-11(17)10(12)9(6-14-15)13-5-7-2-3-8(16)4-7/h6-8,13,16H,2-5H2,1H3
InChIKeyUPEBFUTYELKWCG-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.01
Rot. Bonds3

About 4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one

4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one (PubChem CID 103269750) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one
PubChem CID103269750
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one
SMILESCn1ncc(NCC2CCC(O)C2)c(Cl)c1=O
InChIInChI=1S/C11H16ClN3O2/c1-15-11(17)10(12)9(6-14-15)13-5-7-2-3-8(16)4-7/h6-8,13,16H,2-5H2,1H3
InChIKeyUPEBFUTYELKWCG-UHFFFAOYSA-N
XLogP1.01
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-hydroxycyclopentyl)methylamino]pyridazin-3-one
CID 106136666
2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one
CID 106136841
4-chloro-5-[(3-hydroxycyclobutyl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439761
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-methyl-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
CID 114417794
4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one
CID 103525314
N-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 113222220
4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
CID 114437685
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide
CID 114417848
methyl 2-[5-chloro-4-[(3-methylcyclopentyl)methylamino]-6-oxopyridazin-1-yl]acetate
CID 107413789

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one (CID 103269750) is 4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one is Cn1ncc(NCC2CCC(O)C2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one?
The InChIKey is UPEBFUTYELKWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-15-11(17)10(12)9(6-14-15)13-5-7-2-3-8(16)4-7/h6-8,13,16H,2-5H2,1H3.
What are the key properties of 4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one?
4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one has a molecular weight of 257.72 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 103269750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).