methyl 6-(cyclopropylamino)pyridazine-3-carboxylate

C9H11N3O2 — CID 60792451

IUPACmethyl 6-(cyclopropylamino)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CC2)nn1
InChIInChI=1S/C9H11N3O2/c1-14-9(13)7-4-5-8(12-11-7)10-6-2-3-6/h4-6H,2-3H2,1H3,(H,10,12)
InChIKeyMLOPZFQAFNLXHH-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.84
Rot. Bonds3

About methyl 6-(cyclopropylamino)pyridazine-3-carboxylate

methyl 6-(cyclopropylamino)pyridazine-3-carboxylate (PubChem CID 60792451) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is methyl 6-(cyclopropylamino)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(cyclopropylamino)pyridazine-3-carboxylate
PubChem CID60792451
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Namemethyl 6-(cyclopropylamino)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CC2)nn1
InChIInChI=1S/C9H11N3O2/c1-14-9(13)7-4-5-8(12-11-7)10-6-2-3-6/h4-6H,2-3H2,1H3,(H,10,12)
InChIKeyMLOPZFQAFNLXHH-UHFFFAOYSA-N
XLogP0.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate
CID 60791668
methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate
CID 103704261
methyl 6-[(3,3-dimethylcyclopentyl)amino]pyridazine-3-carboxylate
CID 115881025
methyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate
CID 133473769
methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate
CID 79363165
methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate
CID 93454058
methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate
CID 106362330
methyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate
CID 95324954
methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate
CID 54918952
6-(cyclopropylamino)-N-propylpyridazine-3-carboxamide
CID 109109200
methyl 6-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazine-3-carboxylate
CID 133281658
6-(cyclooctylamino)pyridazine-3-carboxylic acid
CID 60792420

Frequently Asked Questions

What is the IUPAC name of methyl 6-(cyclopropylamino)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(cyclopropylamino)pyridazine-3-carboxylate (CID 60792451) is methyl 6-(cyclopropylamino)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(cyclopropylamino)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(cyclopropylamino)pyridazine-3-carboxylate is COC(=O)c1ccc(NC2CC2)nn1.
What is the InChIKey of methyl 6-(cyclopropylamino)pyridazine-3-carboxylate?
The InChIKey is MLOPZFQAFNLXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-14-9(13)7-4-5-8(12-11-7)10-6-2-3-6/h4-6H,2-3H2,1H3,(H,10,12).
What are the key properties of methyl 6-(cyclopropylamino)pyridazine-3-carboxylate?
methyl 6-(cyclopropylamino)pyridazine-3-carboxylate has a molecular weight of 193.21 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cyclopropylamino)pyridazine-3-carboxylate is sourced from PubChem (CID 60792451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).