methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate

C9H11N3O2 — CID 60980581

IUPACmethyl 6-(prop-2-enylamino)pyridazine-3-carboxylate
SMILESC=CCNc1ccc(C(=O)OC)nn1
InChIInChI=1S/C9H11N3O2/c1-3-6-10-8-5-4-7(11-12-8)9(13)14-2/h3-5H,1,6H2,2H3,(H,10,12)
InChIKeyINWIMWFTMZYCFO-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.86
Rot. Bonds4

About methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate

methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate (PubChem CID 60980581) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(prop-2-enylamino)pyridazine-3-carboxylate
PubChem CID60980581
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Namemethyl 6-(prop-2-enylamino)pyridazine-3-carboxylate
SMILESC=CCNc1ccc(C(=O)OC)nn1
InChIInChI=1S/C9H11N3O2/c1-3-6-10-8-5-4-7(11-12-8)9(13)14-2/h3-5H,1,6H2,2H3,(H,10,12)
InChIKeyINWIMWFTMZYCFO-UHFFFAOYSA-N
XLogP0.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[6-(prop-2-enylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109110332
6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide
CID 109109201
N-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110369
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate
CID 107390127
methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate
CID 113244113
methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
CID 60792902
N-[6-(prop-2-enylamino)pyridazin-3-yl]pentanamide
CID 113038177
N-(5-chloro-2-methoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110309
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718
methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 60968294
methyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate
CID 103724936

Frequently Asked Questions

What is the IUPAC name of methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate (CID 60980581) is methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate is C=CCNc1ccc(C(=O)OC)nn1.
What is the InChIKey of methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate?
The InChIKey is INWIMWFTMZYCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-3-6-10-8-5-4-7(11-12-8)9(13)14-2/h3-5H,1,6H2,2H3,(H,10,12).
What are the key properties of methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate?
methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate has a molecular weight of 193.21 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate is sourced from PubChem (CID 60980581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).