3-[4-[(dimethylamino)methyl]-3-methylphenyl]-1H-pyridazin-6-one

C14H17N3O — CID 58254667

IUPAC3-[4-[(dimethylamino)methyl]-3-methylphenyl]-1H-pyridazin-6-one
SMILESCc1cc(-c2ccc(=O)[nH]n2)ccc1CN(C)C
InChIInChI=1S/C14H17N3O/c1-10-8-11(4-5-12(10)9-17(2)3)13-6-7-14(18)16-15-13/h4-8H,9H2,1-3H3,(H,16,18)
InChIKeyYTEMJJIMSMKBKR-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.81
Rot. Bonds3

About 3-[4-[(dimethylamino)methyl]-3-methylphenyl]-1H-pyridazin-6-one

3-[4-[(dimethylamino)methyl]-3-methylphenyl]-1H-pyridazin-6-one (PubChem CID 58254667) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[4-[(dimethylamino)methyl]-3-methylphenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[(dimethylamino)methyl]-3-methylphenyl]-1H-pyridazin-6-one
PubChem CID58254667
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[4-[(dimethylamino)methyl]-3-methylphenyl]-1H-pyridazin-6-one
SMILESCc1cc(-c2ccc(=O)[nH]n2)ccc1CN(C)C
InChIInChI=1S/C14H17N3O/c1-10-8-11(4-5-12(10)9-17(2)3)13-6-7-14(18)16-15-13/h4-8H,9H2,1-3H3,(H,16,18)
InChIKeyYTEMJJIMSMKBKR-UHFFFAOYSA-N
XLogP1.81
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(dimethylamino)methyl]-3-methylphenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[(dimethylamino)methyl]-3-methylphenyl]-1H-pyridazin-6-one (CID 58254667) is 3-[4-[(dimethylamino)methyl]-3-methylphenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[(dimethylamino)methyl]-3-methylphenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[(dimethylamino)methyl]-3-methylphenyl]-1H-pyridazin-6-one is Cc1cc(-c2ccc(=O)[nH]n2)ccc1CN(C)C.
What is the InChIKey of 3-[4-[(dimethylamino)methyl]-3-methylphenyl]-1H-pyridazin-6-one?
The InChIKey is YTEMJJIMSMKBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-8-11(4-5-12(10)9-17(2)3)13-6-7-14(18)16-15-13/h4-8H,9H2,1-3H3,(H,16,18).
What are the key properties of 3-[4-[(dimethylamino)methyl]-3-methylphenyl]-1H-pyridazin-6-one?
3-[4-[(dimethylamino)methyl]-3-methylphenyl]-1H-pyridazin-6-one has a molecular weight of 243.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(dimethylamino)methyl]-3-methylphenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 58254667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).