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

C12H18ClN3O2 — CID 103703506

IUPAC4-chloro-5-[(3-hydroxycyclohexyl)methylamino]-2-methylpyridazin-3-one
SMILESCn1ncc(NCC2CCCC(O)C2)c(Cl)c1=O
InChIInChI=1S/C12H18ClN3O2/c1-16-12(18)11(13)10(7-15-16)14-6-8-3-2-4-9(17)5-8/h7-9,14,17H,2-6H2,1H3
InChIKeyNNJXEIHKKMZMMP-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.40
Rot. Bonds3

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

4-chloro-5-[(3-hydroxycyclohexyl)methylamino]-2-methylpyridazin-3-one (PubChem CID 103703506) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-chloro-5-[(3-hydroxycyclohexyl)methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(3-hydroxycyclohexyl)methylamino]-2-methylpyridazin-3-one
PubChem CID103703506
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name4-chloro-5-[(3-hydroxycyclohexyl)methylamino]-2-methylpyridazin-3-one
SMILESCn1ncc(NCC2CCCC(O)C2)c(Cl)c1=O
InChIInChI=1S/C12H18ClN3O2/c1-16-12(18)11(13)10(7-15-16)14-6-8-3-2-4-9(17)5-8/h7-9,14,17H,2-6H2,1H3
InChIKeyNNJXEIHKKMZMMP-UHFFFAOYSA-N
XLogP1.40
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-5-[(4-hydroxycyclohexyl)amino]-2-methylpyridazin-3-one
CID 47142460
2-Tert-butyl-4-chloro-5-[(4-hydroxycyclohexyl)amino]pyridazin-3-one
CID 49225578
5-chloro-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyridazin-6-one
CID 78955514
5-chloro-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one
CID 79003228
5-chloro-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyridazin-6-one
CID 80746632
4-Chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one
CID 103269750
5-chloro-4-[(3-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one
CID 103703382
4-Chloro-5-[(3-hydroxycyclohexyl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 103703508
5-chloro-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyridazin-6-one
CID 103705078
4-Chloro-5-[2-(2-hydroxyethyl)pentylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 103705191
4-Chloro-5-[(4-hydroxycyclohexyl)amino]-2-propylpyridazin-3-one
CID 104966752
4-Chloro-5-[(4-hydroxycyclohexyl)amino]-2-propan-2-ylpyridazin-3-one
CID 104966765

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(3-hydroxycyclohexyl)methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(3-hydroxycyclohexyl)methylamino]-2-methylpyridazin-3-one (CID 103703506) is 4-chloro-5-[(3-hydroxycyclohexyl)methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(3-hydroxycyclohexyl)methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(3-hydroxycyclohexyl)methylamino]-2-methylpyridazin-3-one is Cn1ncc(NCC2CCCC(O)C2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(3-hydroxycyclohexyl)methylamino]-2-methylpyridazin-3-one?
The InChIKey is NNJXEIHKKMZMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-16-12(18)11(13)10(7-15-16)14-6-8-3-2-4-9(17)5-8/h7-9,14,17H,2-6H2,1H3.
What are the key properties of 4-chloro-5-[(3-hydroxycyclohexyl)methylamino]-2-methylpyridazin-3-one?
4-chloro-5-[(3-hydroxycyclohexyl)methylamino]-2-methylpyridazin-3-one has a molecular weight of 271.75 g/mol, XLogP of 1.40, 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-hydroxycyclohexyl)methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 103703506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).