4-chloro-5-[(1-hydroxycyclohexyl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one

C14H22ClN3O3 — CID 115899027

IUPAC4-chloro-5-[(1-hydroxycyclohexyl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(NCC2(O)CCCCC2)c(Cl)c1=O
InChIInChI=1S/C14H22ClN3O3/c1-21-8-7-18-13(19)12(15)11(9-17-18)16-10-14(20)5-3-2-4-6-14/h9,16,20H,2-8,10H2,1H3
InChIKeyYZHYBRLZFYJPIT-UHFFFAOYSA-N
MW315.80 g/mol
LogP1.65
Rot. Bonds6

About 4-chloro-5-[(1-hydroxycyclohexyl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one

4-chloro-5-[(1-hydroxycyclohexyl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 115899027) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is 4-chloro-5-[(1-hydroxycyclohexyl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(1-hydroxycyclohexyl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID115899027
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC Name4-chloro-5-[(1-hydroxycyclohexyl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(NCC2(O)CCCCC2)c(Cl)c1=O
InChIInChI=1S/C14H22ClN3O3/c1-21-8-7-18-13(19)12(15)11(9-17-18)16-10-14(20)5-3-2-4-6-14/h9,16,20H,2-8,10H2,1H3
InChIKeyYZHYBRLZFYJPIT-UHFFFAOYSA-N
XLogP1.65
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-(2-methoxyethyl)-5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-one
CID 103742961
4-chloro-5-[(1-hydroxycyclopentyl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 114439293
4-chloro-5-[(2-hydroxy-2-methylpropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 113234186
4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115693522
4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 113236537
4-chloro-5-[(2-hydroxycycloheptyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114441395
4-chloro-5-[2-(dimethylamino)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115573762
4-chloro-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 103844418
4-chloro-2-(2-methoxyethyl)-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 115619375
4-chloro-2-(2-methoxyethyl)-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
CID 114436261
4-chloro-5-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114439793
4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 103844265

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(1-hydroxycyclohexyl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[(1-hydroxycyclohexyl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one (CID 115899027) is 4-chloro-5-[(1-hydroxycyclohexyl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(1-hydroxycyclohexyl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(1-hydroxycyclohexyl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one is COCCn1ncc(NCC2(O)CCCCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(1-hydroxycyclohexyl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is YZHYBRLZFYJPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O3/c1-21-8-7-18-13(19)12(15)11(9-17-18)16-10-14(20)5-3-2-4-6-14/h9,16,20H,2-8,10H2,1H3.
What are the key properties of 4-chloro-5-[(1-hydroxycyclohexyl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one?
4-chloro-5-[(1-hydroxycyclohexyl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 315.80 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(1-hydroxycyclohexyl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 115899027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).