methyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate

C10H15N3O3 — CID 114392106

IUPACmethyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate
SMILESCOC(=O)C(Nc1cn[nH]c(=O)c1)C(C)C
InChIInChI=1S/C10H15N3O3/c1-6(2)9(10(15)16-3)12-7-4-8(14)13-11-5-7/h4-6,9H,1-3H3,(H2,12,13,14)
InChIKeyLHODXKGXUGHQDF-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.38
Rot. Bonds4

About methyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate

methyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate (PubChem CID 114392106) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate
PubChem CID114392106
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namemethyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate
SMILESCOC(=O)C(Nc1cn[nH]c(=O)c1)C(C)C
InChIInChI=1S/C10H15N3O3/c1-6(2)9(10(15)16-3)12-7-4-8(14)13-11-5-7/h4-6,9H,1-3H3,(H2,12,13,14)
InChIKeyLHODXKGXUGHQDF-UHFFFAOYSA-N
XLogP0.38
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one
CID 114391952
4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one
CID 114392071
4-(pentan-3-ylamino)-1H-pyridazin-6-one
CID 114391867
4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one
CID 114392475
4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
CID 114392438
methyl 2-[(5-amino-1H-indazol-6-yl)amino]-3-methylbutanoate
CID 107489722
4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one
CID 114392237
4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
CID 114392355
methyl (2S)-3-methyl-2-(4-methylanilino)butanoate
CID 11356478
ethyl 2-[(6-oxo-1H-pyridazin-4-yl)amino]acetate
CID 114391976
methyl 3-methyl-2-[[2-(methylamino)-4-pyridinyl]amino]butanoate
CID 113367705
4-(2-ethoxyethylamino)-1H-pyridazin-6-one
CID 114391849

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate (CID 114392106) is methyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate is COC(=O)C(Nc1cn[nH]c(=O)c1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate?
The InChIKey is LHODXKGXUGHQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6(2)9(10(15)16-3)12-7-4-8(14)13-11-5-7/h4-6,9H,1-3H3,(H2,12,13,14).
What are the key properties of methyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate?
methyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate has a molecular weight of 225.25 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate is sourced from PubChem (CID 114392106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).