methyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate

C11H15N3O2 — CID 103724936

IUPACmethyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC2(C)CC2)nn1
InChIInChI=1S/C11H15N3O2/c1-11(5-6-11)7-12-9-4-3-8(13-14-9)10(15)16-2/h3-4H,5-7H2,1-2H3,(H,12,14)
InChIKeyMHDHZZNOAGCCKR-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.48
Rot. Bonds4

About methyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate

methyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate (PubChem CID 103724936) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate
PubChem CID103724936
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Namemethyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC2(C)CC2)nn1
InChIInChI=1S/C11H15N3O2/c1-11(5-6-11)7-12-9-4-3-8(13-14-9)10(15)16-2/h3-4H,5-7H2,1-2H3,(H,12,14)
InChIKeyMHDHZZNOAGCCKR-UHFFFAOYSA-N
XLogP1.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[(1-methylcyclopentyl)methylamino]pyridazine-3-carboxylate
CID 63823251
methyl 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridazine-3-carboxylate
CID 107164283
6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 103724970
1-[[(6-methoxycarbonylpyridazin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312202
methyl 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-3-carboxylate
CID 114749606
methyl 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyridazine-3-carboxylate
CID 133491640
methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate
CID 113244113
methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate
CID 60980581
methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate
CID 107390127
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate
CID 54918952
methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate
CID 79363165

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate (CID 103724936) is methyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate is COC(=O)c1ccc(NCC2(C)CC2)nn1.
What is the InChIKey of methyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate?
The InChIKey is MHDHZZNOAGCCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-11(5-6-11)7-12-9-4-3-8(13-14-9)10(15)16-2/h3-4H,5-7H2,1-2H3,(H,12,14).
What are the key properties of methyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate?
methyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate is sourced from PubChem (CID 103724936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).