2-[[6-(3-methylphenyl)pyridazin-3-yl]amino]cyclopropane-1-carboxylic acid

C15H15N3O2 — CID 116971543

IUPAC2-[[6-(3-methylphenyl)pyridazin-3-yl]amino]cyclopropane-1-carboxylic acid
SMILESCc1cccc(-c2ccc(NC3CC3C(=O)O)nn2)c1
InChIInChI=1S/C15H15N3O2/c1-9-3-2-4-10(7-9)12-5-6-14(18-17-12)16-13-8-11(13)15(19)20/h2-7,11,13H,8H2,1H3,(H,16,18)(H,19,20)
InChIKeyGEKBVCRWHPAQGF-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.34
Rot. Bonds4

About 2-[[6-(3-methylphenyl)pyridazin-3-yl]amino]cyclopropane-1-carboxylic acid

2-[[6-(3-methylphenyl)pyridazin-3-yl]amino]cyclopropane-1-carboxylic acid (PubChem CID 116971543) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[[6-(3-methylphenyl)pyridazin-3-yl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[6-(3-methylphenyl)pyridazin-3-yl]amino]cyclopropane-1-carboxylic acid
PubChem CID116971543
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-[[6-(3-methylphenyl)pyridazin-3-yl]amino]cyclopropane-1-carboxylic acid
SMILESCc1cccc(-c2ccc(NC3CC3C(=O)O)nn2)c1
InChIInChI=1S/C15H15N3O2/c1-9-3-2-4-10(7-9)12-5-6-14(18-17-12)16-13-8-11(13)15(19)20/h2-7,11,13H,8H2,1H3,(H,16,18)(H,19,20)
InChIKeyGEKBVCRWHPAQGF-UHFFFAOYSA-N
XLogP2.34
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid
CID 25219798
N-cyclopentyl-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50776980
3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]propan-1-ol
CID 116971327
N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50778643
N-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]propane-1,3-diamine
CID 116970734
2-[(5-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid
CID 116975310
trans-(1S,2S)-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 28912189
N-butan-2-yl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025183
1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770780
N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46322365
N-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025243
N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50776950

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-methylphenyl)pyridazin-3-yl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[6-(3-methylphenyl)pyridazin-3-yl]amino]cyclopropane-1-carboxylic acid (CID 116971543) is 2-[[6-(3-methylphenyl)pyridazin-3-yl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[6-(3-methylphenyl)pyridazin-3-yl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[6-(3-methylphenyl)pyridazin-3-yl]amino]cyclopropane-1-carboxylic acid is Cc1cccc(-c2ccc(NC3CC3C(=O)O)nn2)c1.
What is the InChIKey of 2-[[6-(3-methylphenyl)pyridazin-3-yl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is GEKBVCRWHPAQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-3-2-4-10(7-9)12-5-6-14(18-17-12)16-13-8-11(13)15(19)20/h2-7,11,13H,8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[6-(3-methylphenyl)pyridazin-3-yl]amino]cyclopropane-1-carboxylic acid?
2-[[6-(3-methylphenyl)pyridazin-3-yl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-methylphenyl)pyridazin-3-yl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116971543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).