6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid

C13H13N3O2 — CID 54944511

IUPAC6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid
SMILESCc1ccccc1CNc1ccc(C(=O)O)nn1
InChIInChI=1S/C13H13N3O2/c1-9-4-2-3-5-10(9)8-14-12-7-6-11(13(17)18)15-16-12/h2-7H,8H2,1H3,(H,14,16)(H,17,18)
InChIKeyIFMWHVFDUFAJED-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.10
Rot. Bonds4

About 6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid

6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid (PubChem CID 54944511) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid
PubChem CID54944511
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid
SMILESCc1ccccc1CNc1ccc(C(=O)O)nn1
InChIInChI=1S/C13H13N3O2/c1-9-4-2-3-5-10(9)8-14-12-7-6-11(13(17)18)15-16-12/h2-7H,8H2,1H3,(H,14,16)(H,17,18)
InChIKeyIFMWHVFDUFAJED-UHFFFAOYSA-N
XLogP2.10
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109110791
[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113327
N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118063
N-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118046
N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113040931
N-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118070
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone
CID 109118019
6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109119670
ethyl 2-[[6-[(2-methylphenyl)methylamino]pyridazine-3-carbonyl]amino]benzoate
CID 109118102
N-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118017
6-hydrazinyl-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 62237451
3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid
CID 54944509

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid (CID 54944511) is 6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid is Cc1ccccc1CNc1ccc(C(=O)O)nn1.
What is the InChIKey of 6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid?
The InChIKey is IFMWHVFDUFAJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-4-2-3-5-10(9)8-14-12-7-6-11(13(17)18)15-16-12/h2-7H,8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid?
6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid has a molecular weight of 243.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 54944511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).