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

C15H24N4O2 — CID 133491640

IUPACmethyl 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC2(CN(C)C)CCCC2)nn1
InChIInChI=1S/C15H24N4O2/c1-19(2)11-15(8-4-5-9-15)10-16-13-7-6-12(17-18-13)14(20)21-3/h6-7H,4-5,8-11H2,1-3H3,(H,16,18)
InChIKeyGXMGJIGVRWUZKQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.80
Rot. Bonds6

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

methyl 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyridazine-3-carboxylate (PubChem CID 133491640) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyridazine-3-carboxylate
PubChem CID133491640
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Namemethyl 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC2(CN(C)C)CCCC2)nn1
InChIInChI=1S/C15H24N4O2/c1-19(2)11-15(8-4-5-9-15)10-16-13-7-6-12(17-18-13)14(20)21-3/h6-7H,4-5,8-11H2,1-3H3,(H,16,18)
InChIKeyGXMGJIGVRWUZKQ-UHFFFAOYSA-N
XLogP1.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[(1-methylcyclopentyl)methylamino]pyridazine-3-carboxylate
CID 63823251
methyl 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-3-carboxylate
CID 114749606
methyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate
CID 103724936
1-[[(6-methoxycarbonylpyridazin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312202
methyl 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridazine-3-carboxylate
CID 107164283
6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide
CID 113295252
methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
CID 60792902
2-[1-[[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]methyl]cyclobutyl]acetic acid
CID 81163939
6-[(1-ethylcyclobutyl)methylamino]pyridazine-3-carboxamide
CID 103741792
N-ethyl-6-[(1-ethylcyclopentyl)methylamino]pyridazine-3-carboxamide
CID 103764956
methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate
CID 54918952
methyl 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridazine-3-carboxylate
CID 55142196

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyridazine-3-carboxylate (CID 133491640) is methyl 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyridazine-3-carboxylate is COC(=O)c1ccc(NCC2(CN(C)C)CCCC2)nn1.
What is the InChIKey of methyl 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyridazine-3-carboxylate?
The InChIKey is GXMGJIGVRWUZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-19(2)11-15(8-4-5-9-15)10-16-13-7-6-12(17-18-13)14(20)21-3/h6-7H,4-5,8-11H2,1-3H3,(H,16,18).
What are the key properties of methyl 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyridazine-3-carboxylate?
methyl 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyridazine-3-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyridazine-3-carboxylate is sourced from PubChem (CID 133491640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).