1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine

C12H12ClN3O2 — CID 164754477

IUPAC1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine
SMILESClc1nnc(OC[C@H]2CCCO2)c2cnccc12
InChIInChI=1S/C12H12ClN3O2/c13-11-9-3-4-14-6-10(9)12(16-15-11)18-7-8-2-1-5-17-8/h3-4,6,8H,1-2,5,7H2/t8-/m1/s1
InChIKeyPXMUUPQXFDMREM-MRVPVSSYSA-N
MW265.70 g/mol
LogP2.24
Rot. Bonds3

About 1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine

1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine (PubChem CID 164754477) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine.

Molecular Properties

Compound Name1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine
PubChem CID164754477
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine
SMILESClc1nnc(OC[C@H]2CCCO2)c2cnccc12
InChIInChI=1S/C12H12ClN3O2/c13-11-9-3-4-14-6-10(9)12(16-15-11)18-7-8-2-1-5-17-8/h3-4,6,8H,1-2,5,7H2/t8-/m1/s1
InChIKeyPXMUUPQXFDMREM-MRVPVSSYSA-N
XLogP2.24
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine?
The IUPAC name of 1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine (CID 164754477) is 1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine.
What is the SMILES notation for 1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine?
The canonical SMILES for 1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine is Clc1nnc(OC[C@H]2CCCO2)c2cnccc12.
What is the InChIKey of 1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine?
The InChIKey is PXMUUPQXFDMREM-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-11-9-3-4-14-6-10(9)12(16-15-11)18-7-8-2-1-5-17-8/h3-4,6,8H,1-2,5,7H2/t8-/m1/s1.
What are the key properties of 1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine?
1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine has a molecular weight of 265.70 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine is sourced from PubChem (CID 164754477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).