4-chloro-2-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypyridazin-3-one

C13H22ClN3O2 — CID 575248

IUPAC4-chloro-2-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypyridazin-3-one
SMILESCOc1cnn(CCN(C(C)C)C(C)C)c(=O)c1Cl
InChIInChI=1S/C13H22ClN3O2/c1-9(2)16(10(3)4)6-7-17-13(18)12(14)11(19-5)8-15-17/h8-10H,6-7H2,1-5H3
InChIKeyQMXDVHKGVOOCDW-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.02
Rot. Bonds6

About 4-chloro-2-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypyridazin-3-one

4-chloro-2-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypyridazin-3-one (PubChem CID 575248) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-chloro-2-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypyridazin-3-one
PubChem CID575248
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Name4-chloro-2-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypyridazin-3-one
SMILESCOc1cnn(CCN(C(C)C)C(C)C)c(=O)c1Cl
InChIInChI=1S/C13H22ClN3O2/c1-9(2)16(10(3)4)6-7-17-13(18)12(14)11(19-5)8-15-17/h8-10H,6-7H2,1-5H3
InChIKeyQMXDVHKGVOOCDW-UHFFFAOYSA-N
XLogP2.02
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypyridazin-3-one?
The IUPAC name of 4-chloro-2-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypyridazin-3-one (CID 575248) is 4-chloro-2-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypyridazin-3-one?
The canonical SMILES for 4-chloro-2-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypyridazin-3-one is COc1cnn(CCN(C(C)C)C(C)C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypyridazin-3-one?
The InChIKey is QMXDVHKGVOOCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O2/c1-9(2)16(10(3)4)6-7-17-13(18)12(14)11(19-5)8-15-17/h8-10H,6-7H2,1-5H3.
What are the key properties of 4-chloro-2-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypyridazin-3-one?
4-chloro-2-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypyridazin-3-one has a molecular weight of 287.79 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypyridazin-3-one is sourced from PubChem (CID 575248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).