5,6-dimethyl-3-[(3-methylphenyl)methylamino]pyridazine-4-carboxylic acid

C15H17N3O2 — CID 62709618

IUPAC5,6-dimethyl-3-[(3-methylphenyl)methylamino]pyridazine-4-carboxylic acid
SMILESCc1cccc(CNc2nnc(C)c(C)c2C(=O)O)c1
InChIInChI=1S/C15H17N3O2/c1-9-5-4-6-12(7-9)8-16-14-13(15(19)20)10(2)11(3)17-18-14/h4-7H,8H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyRRFWGQYZEJGHJS-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.71
Rot. Bonds4

About 5,6-dimethyl-3-[(3-methylphenyl)methylamino]pyridazine-4-carboxylic acid

5,6-dimethyl-3-[(3-methylphenyl)methylamino]pyridazine-4-carboxylic acid (PubChem CID 62709618) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(3-methylphenyl)methylamino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-3-[(3-methylphenyl)methylamino]pyridazine-4-carboxylic acid
PubChem CID62709618
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5,6-dimethyl-3-[(3-methylphenyl)methylamino]pyridazine-4-carboxylic acid
SMILESCc1cccc(CNc2nnc(C)c(C)c2C(=O)O)c1
InChIInChI=1S/C15H17N3O2/c1-9-5-4-6-12(7-9)8-16-14-13(15(19)20)10(2)11(3)17-18-14/h4-7H,8H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyRRFWGQYZEJGHJS-UHFFFAOYSA-N
XLogP2.71
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[(3-methylphenyl)methylamino]pyridine-3-carboxylic acid
CID 25109943
5,6-dimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridazine-4-carboxylic acid
CID 106377656
4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid
CID 54944792
N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide
CID 113040992
N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961493
2-methyl-2-[(3-methylphenyl)methylamino]butanoic acid
CID 78969372
1-[3-methyl-5-[(3-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone
CID 79363944
2-[(3-methylphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 80569053
(3-methylphenyl)methylurea
CID 60776531
[4-[(3-methylphenyl)methylamino]phenyl]urea
CID 43744878
3-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 78942067
2-fluoro-4-[(3-methylphenyl)methylamino]benzoic acid
CID 113319749

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[(3-methylphenyl)methylamino]pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-dimethyl-3-[(3-methylphenyl)methylamino]pyridazine-4-carboxylic acid (CID 62709618) is 5,6-dimethyl-3-[(3-methylphenyl)methylamino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-3-[(3-methylphenyl)methylamino]pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-3-[(3-methylphenyl)methylamino]pyridazine-4-carboxylic acid is Cc1cccc(CNc2nnc(C)c(C)c2C(=O)O)c1.
What is the InChIKey of 5,6-dimethyl-3-[(3-methylphenyl)methylamino]pyridazine-4-carboxylic acid?
The InChIKey is RRFWGQYZEJGHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-5-4-6-12(7-9)8-16-14-13(15(19)20)10(2)11(3)17-18-14/h4-7H,8H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 5,6-dimethyl-3-[(3-methylphenyl)methylamino]pyridazine-4-carboxylic acid?
5,6-dimethyl-3-[(3-methylphenyl)methylamino]pyridazine-4-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(3-methylphenyl)methylamino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 62709618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).