4-(dimethylamino)-5-methoxy-2-phenylpyridazin-3-one

C13H15N3O2 — CID 767634

IUPAC4-(dimethylamino)-5-methoxy-2-phenylpyridazin-3-one
SMILESCOc1cnn(-c2ccccc2)c(=O)c1N(C)C
InChIInChI=1S/C13H15N3O2/c1-15(2)12-11(18-3)9-14-16(13(12)17)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyKEQAQYZTEGSDHS-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.31
Rot. Bonds3

About 4-(dimethylamino)-5-methoxy-2-phenylpyridazin-3-one

4-(dimethylamino)-5-methoxy-2-phenylpyridazin-3-one (PubChem CID 767634) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(dimethylamino)-5-methoxy-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-(dimethylamino)-5-methoxy-2-phenylpyridazin-3-one
PubChem CID767634
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-(dimethylamino)-5-methoxy-2-phenylpyridazin-3-one
SMILESCOc1cnn(-c2ccccc2)c(=O)c1N(C)C
InChIInChI=1S/C13H15N3O2/c1-15(2)12-11(18-3)9-14-16(13(12)17)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyKEQAQYZTEGSDHS-UHFFFAOYSA-N
XLogP1.31
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-5-methoxy-2-phenylpyridazin-3-one?
The IUPAC name of 4-(dimethylamino)-5-methoxy-2-phenylpyridazin-3-one (CID 767634) is 4-(dimethylamino)-5-methoxy-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-(dimethylamino)-5-methoxy-2-phenylpyridazin-3-one?
The canonical SMILES for 4-(dimethylamino)-5-methoxy-2-phenylpyridazin-3-one is COc1cnn(-c2ccccc2)c(=O)c1N(C)C.
What is the InChIKey of 4-(dimethylamino)-5-methoxy-2-phenylpyridazin-3-one?
The InChIKey is KEQAQYZTEGSDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-15(2)12-11(18-3)9-14-16(13(12)17)10-7-5-4-6-8-10/h4-9H,1-3H3.
What are the key properties of 4-(dimethylamino)-5-methoxy-2-phenylpyridazin-3-one?
4-(dimethylamino)-5-methoxy-2-phenylpyridazin-3-one has a molecular weight of 245.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-5-methoxy-2-phenylpyridazin-3-one is sourced from PubChem (CID 767634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).