methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate

C13H19N3O3 — CID 106362330

IUPACmethyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCCCC2CO)nn1
InChIInChI=1S/C13H19N3O3/c1-19-13(18)11-6-7-12(16-15-11)14-10-5-3-2-4-9(10)8-17/h6-7,9-10,17H,2-5,8H2,1H3,(H,14,16)
InChIKeyJSUCLEFYXINMKK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.23
Rot. Bonds4

About methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate

methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate (PubChem CID 106362330) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate
PubChem CID106362330
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCCCC2CO)nn1
InChIInChI=1S/C13H19N3O3/c1-19-13(18)11-6-7-12(16-15-11)14-10-5-3-2-4-9(10)8-17/h6-7,9-10,17H,2-5,8H2,1H3,(H,14,16)
InChIKeyJSUCLEFYXINMKK-UHFFFAOYSA-N
XLogP1.23
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate
CID 93454058
6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 103718492
methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carboxylate
CID 106361866
methyl 6-(cyclopropylamino)pyridazine-3-carboxylate
CID 60792451
methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate
CID 133353653
methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate
CID 54918952
methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate
CID 79363165
methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate
CID 60791668
methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate
CID 103704261
6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide
CID 99848252
[2-(pyridin-2-ylamino)cyclohexyl]methanol
CID 106362177
6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 133495244

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate (CID 106362330) is methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate is COC(=O)c1ccc(NC2CCCCC2CO)nn1.
What is the InChIKey of methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate?
The InChIKey is JSUCLEFYXINMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-19-13(18)11-6-7-12(16-15-11)14-10-5-3-2-4-9(10)8-17/h6-7,9-10,17H,2-5,8H2,1H3,(H,14,16).
What are the key properties of methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate?
methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate is sourced from PubChem (CID 106362330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).