4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]cyclohexane-1-carboxylic acid

C15H16BrN3O2S — CID 122059972

IUPAC4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2ccc(-c3ccc(Br)s3)nn2)CC1
InChIInChI=1S/C15H16BrN3O2S/c16-13-7-6-12(22-13)11-5-8-14(19-18-11)17-10-3-1-9(2-4-10)15(20)21/h5-10H,1-4H2,(H,17,19)(H,20,21)
InChIKeyZQYLSCIIRVZTFZ-UHFFFAOYSA-N
MW382.28 g/mol
LogP4.02
Rot. Bonds4

About 4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]cyclohexane-1-carboxylic acid

4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122059972) has the molecular formula C15H16BrN3O2S and a molecular weight of 382.28 g/mol. Its IUPAC name is 4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]cyclohexane-1-carboxylic acid
PubChem CID122059972
Molecular FormulaC15H16BrN3O2S
Molecular Weight382.28 g/mol
Exact Mass381.01
IUPAC Name4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2ccc(-c3ccc(Br)s3)nn2)CC1
InChIInChI=1S/C15H16BrN3O2S/c16-13-7-6-12(22-13)11-5-8-14(19-18-11)17-10-3-1-9(2-4-10)15(20)21/h5-10H,1-4H2,(H,17,19)(H,20,21)
InChIKeyZQYLSCIIRVZTFZ-UHFFFAOYSA-N
XLogP4.02
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 167769071
4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 118092598
6-(5-bromothiophen-2-yl)-N-methylpyridazin-3-amine
CID 62203714
4-[(6-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 64587755
5-(5-bromothiophen-2-yl)-N-cyclopropyl-1H-pyrazol-3-amine
CID 63049348
4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 66279255
4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide
CID 113038059
4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid
CID 65208967
4-[(7-chloroquinolin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 122059980
4-[amino-(5-bromothiophen-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 116938801
1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 20947357
3-[(6-chloropyridazin-3-yl)amino]cyclohexane-1-carboxylic acid
CID 63042065

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]cyclohexane-1-carboxylic acid (CID 122059972) is 4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Nc2ccc(-c3ccc(Br)s3)nn2)CC1.
What is the InChIKey of 4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is ZQYLSCIIRVZTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2S/c16-13-7-6-12(22-13)11-5-8-14(19-18-11)17-10-3-1-9(2-4-10)15(20)21/h5-10H,1-4H2,(H,17,19)(H,20,21).
What are the key properties of 4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]cyclohexane-1-carboxylic acid?
4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 382.28 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122059972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).