methyl 6-(butylamino)pyridazine-3-carboxylate

C10H15N3O2 — CID 24820196

IUPACmethyl 6-(butylamino)pyridazine-3-carboxylate
SMILESCCCCNc1ccc(C(=O)OC)nn1
InChIInChI=1S/C10H15N3O2/c1-3-4-7-11-9-6-5-8(12-13-9)10(14)15-2/h5-6H,3-4,7H2,1-2H3,(H,11,13)
InChIKeyCTBKWWFFSIUXGF-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.48
Rot. Bonds5

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

methyl 6-(butylamino)pyridazine-3-carboxylate (PubChem CID 24820196) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 6-(butylamino)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(butylamino)pyridazine-3-carboxylate
PubChem CID24820196
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 6-(butylamino)pyridazine-3-carboxylate
SMILESCCCCNc1ccc(C(=O)OC)nn1
InChIInChI=1S/C10H15N3O2/c1-3-4-7-11-9-6-5-8(12-13-9)10(14)15-2/h5-6H,3-4,7H2,1-2H3,(H,11,13)
InChIKeyCTBKWWFFSIUXGF-UHFFFAOYSA-N
XLogP1.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.48
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-(hexylamino)pyridazine-3-carboxylate
CID 60980718
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
6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109597
methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 60968294
methyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 115609127
methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate
CID 60792454
methyl 6-[2-(2-methylpropoxy)ethylamino]pyridazine-3-carboxylate
CID 115586284
(2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid
CID 122063002
methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate
CID 113244113
methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate
CID 60980581

Frequently Asked Questions

What is the IUPAC name of methyl 6-(butylamino)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(butylamino)pyridazine-3-carboxylate (CID 24820196) is methyl 6-(butylamino)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(butylamino)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(butylamino)pyridazine-3-carboxylate is CCCCNc1ccc(C(=O)OC)nn1.
What is the InChIKey of methyl 6-(butylamino)pyridazine-3-carboxylate?
The InChIKey is CTBKWWFFSIUXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-4-7-11-9-6-5-8(12-13-9)10(14)15-2/h5-6H,3-4,7H2,1-2H3,(H,11,13).
What are the key properties of methyl 6-(butylamino)pyridazine-3-carboxylate?
methyl 6-(butylamino)pyridazine-3-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(butylamino)pyridazine-3-carboxylate is sourced from PubChem (CID 24820196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).