3-[1-(2-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid

C15H16ClN3O2 — CID 62711194

IUPAC3-[1-(2-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCc1nnc(NC(C)c2ccccc2Cl)c(C(=O)O)c1C
InChIInChI=1S/C15H16ClN3O2/c1-8-9(2)18-19-14(13(8)15(20)21)17-10(3)11-6-4-5-7-12(11)16/h4-7,10H,1-3H3,(H,17,19)(H,20,21)
InChIKeyRIXOJGBESUOAHX-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.62
Rot. Bonds4

About 3-[1-(2-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid

3-[1-(2-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid (PubChem CID 62711194) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid
PubChem CID62711194
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name3-[1-(2-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCc1nnc(NC(C)c2ccccc2Cl)c(C(=O)O)c1C
InChIInChI=1S/C15H16ClN3O2/c1-8-9(2)18-19-14(13(8)15(20)21)17-10(3)11-6-4-5-7-12(11)16/h4-7,10H,1-3H3,(H,17,19)(H,20,21)
InChIKeyRIXOJGBESUOAHX-UHFFFAOYSA-N
XLogP3.62
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(2-chlorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 63758433
2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 62711356
5,6-dimethyl-3-(3-methylbutan-2-ylamino)pyridazine-4-carboxylic acid
CID 62710596
2-[1-(2-chlorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569922
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 79232217
4-chloro-N-[1-(2-chlorophenyl)ethyl]phthalazin-1-amine
CID 62142132
2-[1-(2-chlorophenyl)ethylamino]benzoic acid
CID 43322123
5,6-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid
CID 62711856
N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 141011393
4-[1-(2-chlorophenyl)ethylamino]-2,3-difluorobenzoic acid
CID 79834693
phenyl N-[(1R)-1-(2-chlorophenyl)ethyl]carbamate
CID 81378918
6-[1-(2-chlorophenyl)ethylamino]pyridine-3-carboxamide
CID 112722842

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-[1-(2-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid (CID 62711194) is 3-[1-(2-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[1-(2-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-[1-(2-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid is Cc1nnc(NC(C)c2ccccc2Cl)c(C(=O)O)c1C.
What is the InChIKey of 3-[1-(2-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid?
The InChIKey is RIXOJGBESUOAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-8-9(2)18-19-14(13(8)15(20)21)17-10(3)11-6-4-5-7-12(11)16/h4-7,10H,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 3-[1-(2-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid?
3-[1-(2-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid has a molecular weight of 305.77 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 62711194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).