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

C36H37Cl4N9O6 — CID 165058198

IUPAC1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol
SMILESClc1nnc(Cl)c2cnccc12.Clc1nnc(OC[C@H]2CCCO2)c2ccncc12.Clc1nnc(OC[C@H]2CCCO2)c2cnccc12.OC[C@H]1CCCO1
InChIInChI=1S/2C12H12ClN3O2.C7H3Cl2N3.C5H10O2/c13-11-10-6-14-4-3-9(10)12(16-15-11)18-7-8-2-1-5-17-8;13-11-9-3-4-14-6-10(9)12(16-15-11)18-7-8-2-1-5-17-8;8-6-4-1-2-10-3-5(4)7(9)12-11-6;6-4-5-2-1-3-7-5/h2*3-4,6,8H,1-2,5,7H2;1-3H;5-6H,1-4H2/t2*8-;;5-/m11.1/s1
InChIKeyQTWCUQVEGKZPOG-NKMXWHNVSA-N
MW833.56 g/mol
LogP6.96
Rot. Bonds7

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

1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol (PubChem CID 165058198) has the molecular formula C36H37Cl4N9O6 and a molecular weight of 833.56 g/mol. Its IUPAC name is 1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol.

Molecular Properties

Compound Name1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol
PubChem CID165058198
Molecular FormulaC36H37Cl4N9O6
Molecular Weight833.56 g/mol
Exact Mass831.16
IUPAC Name1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol
SMILESClc1nnc(Cl)c2cnccc12.Clc1nnc(OC[C@H]2CCCO2)c2ccncc12.Clc1nnc(OC[C@H]2CCCO2)c2cnccc12.OC[C@H]1CCCO1
InChIInChI=1S/2C12H12ClN3O2.C7H3Cl2N3.C5H10O2/c13-11-10-6-14-4-3-9(10)12(16-15-11)18-7-8-2-1-5-17-8;13-11-9-3-4-14-6-10(9)12(16-15-11)18-7-8-2-1-5-17-8;8-6-4-1-2-10-3-5(4)7(9)12-11-6;6-4-5-2-1-3-7-5/h2*3-4,6,8H,1-2,5,7H2;1-3H;5-6H,1-4H2/t2*8-;;5-/m11.1/s1
InChIKeyQTWCUQVEGKZPOG-NKMXWHNVSA-N
XLogP6.96
TPSA182.39 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500833.56
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol with MolForge

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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;4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol?
The IUPAC name of 1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol (CID 165058198) is 1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol.
What is the SMILES notation for 1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol?
The canonical SMILES for 1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol is Clc1nnc(Cl)c2cnccc12.Clc1nnc(OC[C@H]2CCCO2)c2ccncc12.Clc1nnc(OC[C@H]2CCCO2)c2cnccc12.OC[C@H]1CCCO1.
What is the InChIKey of 1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol?
The InChIKey is QTWCUQVEGKZPOG-NKMXWHNVSA-N. The full InChI is InChI=1S/2C12H12ClN3O2.C7H3Cl2N3.C5H10O2/c13-11-10-6-14-4-3-9(10)12(16-15-11)18-7-8-2-1-5-17-8;13-11-9-3-4-14-6-10(9)12(16-15-11)18-7-8-2-1-5-17-8;8-6-4-1-2-10-3-5(4)7(9)12-11-6;6-4-5-2-1-3-7-5/h2*3-4,6,8H,1-2,5,7H2;1-3H;5-6H,1-4H2/t2*8-;;5-/m11.1/s1.
What are the key properties of 1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol?
1-chloro-4-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol has a molecular weight of 833.56 g/mol, XLogP of 6.96, 7 rotatable bonds, 1 hydrogen bond donors, and 15 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;4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol is sourced from PubChem (CID 165058198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).