4-chloro-5-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one

C11H15ClN2O3 — CID 154785256

IUPAC4-chloro-5-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESCOc1cnn(CC2CCOCC2)c(=O)c1Cl
InChIInChI=1S/C11H15ClN2O3/c1-16-9-6-13-14(11(15)10(9)12)7-8-2-4-17-5-3-8/h6,8H,2-5,7H2,1H3
InChIKeySPUIDEBMUBYNCW-UHFFFAOYSA-N
MW258.70 g/mol
LogP1.33
Rot. Bonds3

About 4-chloro-5-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one

4-chloro-5-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one (PubChem CID 154785256) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 4-chloro-5-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one
PubChem CID154785256
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name4-chloro-5-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESCOc1cnn(CC2CCOCC2)c(=O)c1Cl
InChIInChI=1S/C11H15ClN2O3/c1-16-9-6-13-14(11(15)10(9)12)7-8-2-4-17-5-3-8/h6,8H,2-5,7H2,1H3
InChIKeySPUIDEBMUBYNCW-UHFFFAOYSA-N
XLogP1.33
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-methoxy-1-(oxan-4-ylmethyl)pyrazole
CID 117231984
5-chloro-2-(cyclopropylmethyl)-4-(oxan-4-ylmethylamino)pyridazin-3-one
CID 114437978
4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one
CID 86335249
2-benzyl-4-chloro-5-methoxypyridazin-3-one
CID 737015
4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one
CID 10610335
5-chloro-2-(cyclopropylmethyl)-4-[1-(oxolan-3-yl)ethylamino]pyridazin-3-one
CID 114443407
6,7,8-trimethoxy-3-(oxan-4-ylmethyl)quinazolin-4-one
CID 171389522
4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one
CID 90288515
5-methyl-4-nitro-1-(oxan-4-ylmethyl)pyrazole
CID 153281740
4-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 178099289
5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443243
4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethyl]morpholine
CID 117233214

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one (CID 154785256) is 4-chloro-5-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one is COc1cnn(CC2CCOCC2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one?
The InChIKey is SPUIDEBMUBYNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-16-9-6-13-14(11(15)10(9)12)7-8-2-4-17-5-3-8/h6,8H,2-5,7H2,1H3.
What are the key properties of 4-chloro-5-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one?
4-chloro-5-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one has a molecular weight of 258.70 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 154785256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).