3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid

C12H17N3O3 — CID 114179237

IUPAC3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1NC1CCCCC1CO
InChIInChI=1S/C12H17N3O3/c16-7-8-3-1-2-4-10(8)14-11-9(12(17)18)5-6-13-15-11/h5-6,8,10,16H,1-4,7H2,(H,14,15)(H,17,18)
InChIKeyGVBJLRRDMQMYNM-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.14
Rot. Bonds4

About 3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid

3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid (PubChem CID 114179237) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid
PubChem CID114179237
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1NC1CCCCC1CO
InChIInChI=1S/C12H17N3O3/c16-7-8-3-1-2-4-10(8)14-11-9(12(17)18)5-6-13-15-11/h5-6,8,10,16H,1-4,7H2,(H,14,15)(H,17,18)
InChIKeyGVBJLRRDMQMYNM-UHFFFAOYSA-N
XLogP1.14
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid
CID 80517843
2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 106361785
3-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridazine-4-carboxylic acid
CID 80517876
3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid
CID 80517570
3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid
CID 80517643
5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 114178774
3-[(2-phenylcyclopropyl)amino]pyridazine-4-carboxylic acid
CID 80517888
5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid
CID 114178785
[2-(phthalazin-1-ylamino)cyclohexyl]methanol
CID 106362271
2-[[2-(hydroxymethyl)cyclopentyl]amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 106364840
[2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol
CID 106364159
3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid
CID 80516623

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid (CID 114179237) is 3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid is O=C(O)c1ccnnc1NC1CCCCC1CO.
What is the InChIKey of 3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid?
The InChIKey is GVBJLRRDMQMYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-7-8-3-1-2-4-10(8)14-11-9(12(17)18)5-6-13-15-11/h5-6,8,10,16H,1-4,7H2,(H,14,15)(H,17,18).
What are the key properties of 3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid?
3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 114179237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).