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

C13H14ClN3O — CID 164952017

IUPAC4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine
SMILESClc1nnc(CC[C@@H]2CCCO2)c2ccncc12
InChIInChI=1S/C13H14ClN3O/c14-13-11-8-15-6-5-10(11)12(16-17-13)4-3-9-2-1-7-18-9/h5-6,8-9H,1-4,7H2/t9-/m0/s1
InChIKeyJXDXOGHWQMRZMK-VIFPVBQESA-N
MW263.73 g/mol
LogP2.79
Rot. Bonds3

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

4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine (PubChem CID 164952017) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine.

Molecular Properties

Compound Name4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine
PubChem CID164952017
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine
SMILESClc1nnc(CC[C@@H]2CCCO2)c2ccncc12
InChIInChI=1S/C13H14ClN3O/c14-13-11-8-15-6-5-10(11)12(16-17-13)4-3-9-2-1-7-18-9/h5-6,8-9H,1-4,7H2/t9-/m0/s1
InChIKeyJXDXOGHWQMRZMK-VIFPVBQESA-N
XLogP2.79
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine?
The IUPAC name of 4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine (CID 164952017) is 4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine.
What is the SMILES notation for 4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine?
The canonical SMILES for 4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine is Clc1nnc(CC[C@@H]2CCCO2)c2ccncc12.
What is the InChIKey of 4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine?
The InChIKey is JXDXOGHWQMRZMK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-13-11-8-15-6-5-10(11)12(16-17-13)4-3-9-2-1-7-18-9/h5-6,8-9H,1-4,7H2/t9-/m0/s1.
What are the key properties of 4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine?
4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine has a molecular weight of 263.73 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine is sourced from PubChem (CID 164952017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).