4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid

C14H15N3O4 — CID 152581051

IUPAC4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid
SMILESCOc1ccc(CNc2ccnnc2C(=O)O)c(OC)c1
InChIInChI=1S/C14H15N3O4/c1-20-10-4-3-9(12(7-10)21-2)8-15-11-5-6-16-17-13(11)14(18)19/h3-7H,8H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyYTMCUXPBGMLUFG-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.80
Rot. Bonds6

About 4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid

4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid (PubChem CID 152581051) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid
PubChem CID152581051
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid
SMILESCOc1ccc(CNc2ccnnc2C(=O)O)c(OC)c1
InChIInChI=1S/C14H15N3O4/c1-20-10-4-3-9(12(7-10)21-2)8-15-11-5-6-16-17-13(11)14(18)19/h3-7H,8H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyYTMCUXPBGMLUFG-UHFFFAOYSA-N
XLogP1.80
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 118714302
4-methyl-5-[[(2R,6S)-6-[4-(trifluoromethoxy)phenyl]oxan-2-yl]methylamino]pyridazine-3-carboxylic acid
CID 117672562
4-methyl-5-[[(6S)-6-[4-(trifluoromethoxy)phenyl]oxan-2-yl]methylamino]pyridazine-3-carboxylic acid
CID 118033664
4-Methyl-5-[2-[6-[[4-(trifluoromethoxy)phenyl]methyl]oxan-2-yl]ethylamino]pyridazine-3-carboxylic acid
CID 123726792
Methyl 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate
CID 151704479
Ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-5-fluoropyridazine-3-carboxylate
CID 167241213
6-(5-Chloro-2-fluorophenyl)-4-[2-(2,4-dimethoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
CID 175411963
6-(2,6-Difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid
CID 175721037
6-(2,6-Difluoro-3-methylphenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid
CID 175721188
4-acetylamino-1-(4-methoxy-benzyl)-1H-pyrazole-3-carboxylic acid
CID 58874955
4-amino-N-[(2-hydroxy-4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 70809592
4-[4-[[4-(2-Piperidin-4-ylethoxy)phenyl]methyl]anilino]pyridazine-3-carboxylic acid
CID 148665953

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid?
The IUPAC name of 4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid (CID 152581051) is 4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid?
The canonical SMILES for 4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid is COc1ccc(CNc2ccnnc2C(=O)O)c(OC)c1.
What is the InChIKey of 4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid?
The InChIKey is YTMCUXPBGMLUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-20-10-4-3-9(12(7-10)21-2)8-15-11-5-6-16-17-13(11)14(18)19/h3-7H,8H2,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid?
4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 152581051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).