4-methoxy-2-propan-2-ylpyridazin-3-one

C8H12N2O2 — CID 171100477

IUPAC4-methoxy-2-propan-2-ylpyridazin-3-one
SMILESCOc1ccnn(C(C)C)c1=O
InChIInChI=1S/C8H12N2O2/c1-6(2)10-8(11)7(12-3)4-5-9-10/h4-6H,1-3H3
InChIKeyTWTLSHINZJVRKW-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.83
Rot. Bonds2

About 4-methoxy-2-propan-2-ylpyridazin-3-one

4-methoxy-2-propan-2-ylpyridazin-3-one (PubChem CID 171100477) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-methoxy-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-methoxy-2-propan-2-ylpyridazin-3-one
PubChem CID171100477
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-methoxy-2-propan-2-ylpyridazin-3-one
SMILESCOc1ccnn(C(C)C)c1=O
InChIInChI=1S/C8H12N2O2/c1-6(2)10-8(11)7(12-3)4-5-9-10/h4-6H,1-3H3
InChIKeyTWTLSHINZJVRKW-UHFFFAOYSA-N
XLogP0.83
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-methoxy-2-propan-2-ylpyridazin-3-one (CID 171100477) is 4-methoxy-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-methoxy-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-methoxy-2-propan-2-ylpyridazin-3-one is COc1ccnn(C(C)C)c1=O.
What is the InChIKey of 4-methoxy-2-propan-2-ylpyridazin-3-one?
The InChIKey is TWTLSHINZJVRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6(2)10-8(11)7(12-3)4-5-9-10/h4-6H,1-3H3.
What are the key properties of 4-methoxy-2-propan-2-ylpyridazin-3-one?
4-methoxy-2-propan-2-ylpyridazin-3-one has a molecular weight of 168.20 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 171100477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).