3-[(6-chloropyridazin-3-yl)amino]cyclohexane-1-carboxylic acid

C11H14ClN3O2 — CID 63042065

IUPAC3-[(6-chloropyridazin-3-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(Nc2ccc(Cl)nn2)C1
InChIInChI=1S/C11H14ClN3O2/c12-9-4-5-10(15-14-9)13-8-3-1-2-7(6-8)11(16)17/h4-5,7-8H,1-3,6H2,(H,13,15)(H,16,17)
InChIKeyDHHNNTKRWFAVLE-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.19
Rot. Bonds3

About 3-[(6-chloropyridazin-3-yl)amino]cyclohexane-1-carboxylic acid

3-[(6-chloropyridazin-3-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63042065) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 3-[(6-chloropyridazin-3-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(6-chloropyridazin-3-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID63042065
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name3-[(6-chloropyridazin-3-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(Nc2ccc(Cl)nn2)C1
InChIInChI=1S/C11H14ClN3O2/c12-9-4-5-10(15-14-9)13-8-3-1-2-7(6-8)11(16)17/h4-5,7-8H,1-3,6H2,(H,13,15)(H,16,17)
InChIKeyDHHNNTKRWFAVLE-UHFFFAOYSA-N
XLogP2.19
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 63042064
3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
CID 63044232
6-chloro-N-(oxepan-4-yl)pyridazin-3-amine
CID 130698743
6-chloro-N-(oxan-4-yl)pyridazin-3-amine
CID 43610418
3-[(4-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 55146536
3-(2-chloro-5-fluoroanilino)cyclohexane-1-carboxylic acid
CID 107527659
3-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 104605911
3-(quinolin-4-ylamino)cyclohexane-1-carboxylic acid
CID 63041878
2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038860
3-[(6-chloropyridazin-3-yl)amino]-1-methylcyclobutan-1-ol
CID 155284735
6-(cyclooctylamino)pyridazine-3-carboxylic acid
CID 60792420
6-chloro-N-cyclobutylpyridazine-3-carboxamide
CID 62416339

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloropyridazin-3-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(6-chloropyridazin-3-yl)amino]cyclohexane-1-carboxylic acid (CID 63042065) is 3-[(6-chloropyridazin-3-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(6-chloropyridazin-3-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(6-chloropyridazin-3-yl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(Nc2ccc(Cl)nn2)C1.
What is the InChIKey of 3-[(6-chloropyridazin-3-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DHHNNTKRWFAVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-9-4-5-10(15-14-9)13-8-3-1-2-7(6-8)11(16)17/h4-5,7-8H,1-3,6H2,(H,13,15)(H,16,17).
What are the key properties of 3-[(6-chloropyridazin-3-yl)amino]cyclohexane-1-carboxylic acid?
3-[(6-chloropyridazin-3-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 255.70 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloropyridazin-3-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63042065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).