methyl 6-(hexylamino)pyridazine-3-carboxylate

C12H19N3O2 — CID 60980718

IUPACmethyl 6-(hexylamino)pyridazine-3-carboxylate
SMILESCCCCCCNc1ccc(C(=O)OC)nn1
InChIInChI=1S/C12H19N3O2/c1-3-4-5-6-9-13-11-8-7-10(14-15-11)12(16)17-2/h7-8H,3-6,9H2,1-2H3,(H,13,15)
InChIKeyCYKVTOUNXMNRJN-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.26
Rot. Bonds7

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

methyl 6-(hexylamino)pyridazine-3-carboxylate (PubChem CID 60980718) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 6-(hexylamino)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(hexylamino)pyridazine-3-carboxylate
PubChem CID60980718
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namemethyl 6-(hexylamino)pyridazine-3-carboxylate
SMILESCCCCCCNc1ccc(C(=O)OC)nn1
InChIInChI=1S/C12H19N3O2/c1-3-4-5-6-9-13-11-8-7-10(14-15-11)12(16)17-2/h7-8H,3-6,9H2,1-2H3,(H,13,15)
InChIKeyCYKVTOUNXMNRJN-UHFFFAOYSA-N
XLogP2.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate
CID 60792604
methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
CID 60792902
methyl 6-(3-methylsulfinylpropylamino)pyridazine-3-carboxylate
CID 115631415
methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 60968294
N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109125364
methyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 115609127
6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109597
N-[6-(pentylamino)pyridazin-3-yl]propanamide
CID 113044628
N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109113045
methyl 6-[2-(2-methylpropoxy)ethylamino]pyridazine-3-carboxylate
CID 115586284
(2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid
CID 122063002

Frequently Asked Questions

What is the IUPAC name of methyl 6-(hexylamino)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(hexylamino)pyridazine-3-carboxylate (CID 60980718) is methyl 6-(hexylamino)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(hexylamino)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(hexylamino)pyridazine-3-carboxylate is CCCCCCNc1ccc(C(=O)OC)nn1.
What is the InChIKey of methyl 6-(hexylamino)pyridazine-3-carboxylate?
The InChIKey is CYKVTOUNXMNRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-4-5-6-9-13-11-8-7-10(14-15-11)12(16)17-2/h7-8H,3-6,9H2,1-2H3,(H,13,15).
What are the key properties of methyl 6-(hexylamino)pyridazine-3-carboxylate?
methyl 6-(hexylamino)pyridazine-3-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(hexylamino)pyridazine-3-carboxylate is sourced from PubChem (CID 60980718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).