6-chloro-3-ethoxy-4-[(3S)-3-methyloxan-4-yl]pyridazine

C12H17ClN2O2 — CID 118887110

IUPAC6-chloro-3-ethoxy-4-[(3S)-3-methyloxan-4-yl]pyridazine
SMILESCCOc1nnc(Cl)cc1C1CCOC[C@H]1C
InChIInChI=1S/C12H17ClN2O2/c1-3-17-12-10(6-11(13)14-15-12)9-4-5-16-7-8(9)2/h6,8-9H,3-5,7H2,1-2H3/t8-,9?/m1/s1
InChIKeyJKKSCANNFDCPRC-VEDVMXKPSA-N
MW256.73 g/mol
LogP2.67
Rot. Bonds3

About 6-chloro-3-ethoxy-4-[(3S)-3-methyloxan-4-yl]pyridazine

6-chloro-3-ethoxy-4-[(3S)-3-methyloxan-4-yl]pyridazine (PubChem CID 118887110) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 6-chloro-3-ethoxy-4-[(3S)-3-methyloxan-4-yl]pyridazine.

Molecular Properties

Compound Name6-chloro-3-ethoxy-4-[(3S)-3-methyloxan-4-yl]pyridazine
PubChem CID118887110
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name6-chloro-3-ethoxy-4-[(3S)-3-methyloxan-4-yl]pyridazine
SMILESCCOc1nnc(Cl)cc1C1CCOC[C@H]1C
InChIInChI=1S/C12H17ClN2O2/c1-3-17-12-10(6-11(13)14-15-12)9-4-5-16-7-8(9)2/h6,8-9H,3-5,7H2,1-2H3/t8-,9?/m1/s1
InChIKeyJKKSCANNFDCPRC-VEDVMXKPSA-N
XLogP2.67
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-ethoxy-4-[(3S)-3-methyloxan-4-yl]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethoxy-4-[(3S)-3-methyloxan-4-yl]pyridazine?
The IUPAC name of 6-chloro-3-ethoxy-4-[(3S)-3-methyloxan-4-yl]pyridazine (CID 118887110) is 6-chloro-3-ethoxy-4-[(3S)-3-methyloxan-4-yl]pyridazine.
What is the SMILES notation for 6-chloro-3-ethoxy-4-[(3S)-3-methyloxan-4-yl]pyridazine?
The canonical SMILES for 6-chloro-3-ethoxy-4-[(3S)-3-methyloxan-4-yl]pyridazine is CCOc1nnc(Cl)cc1C1CCOC[C@H]1C.
What is the InChIKey of 6-chloro-3-ethoxy-4-[(3S)-3-methyloxan-4-yl]pyridazine?
The InChIKey is JKKSCANNFDCPRC-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-3-17-12-10(6-11(13)14-15-12)9-4-5-16-7-8(9)2/h6,8-9H,3-5,7H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of 6-chloro-3-ethoxy-4-[(3S)-3-methyloxan-4-yl]pyridazine?
6-chloro-3-ethoxy-4-[(3S)-3-methyloxan-4-yl]pyridazine has a molecular weight of 256.73 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethoxy-4-[(3S)-3-methyloxan-4-yl]pyridazine is sourced from PubChem (CID 118887110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).