methyl 3-methyl-2-(pyridazin-3-ylamino)butanoate

C10H15N3O2 — CID 62482219

IUPACmethyl 3-methyl-2-(pyridazin-3-ylamino)butanoate
SMILESCOC(=O)C(Nc1cccnn1)C(C)C
InChIInChI=1S/C10H15N3O2/c1-7(2)9(10(14)15-3)12-8-5-4-6-11-13-8/h4-7,9H,1-3H3,(H,12,13)
InChIKeyOHMDPCUJPPSTTI-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.09
Rot. Bonds4

About methyl 3-methyl-2-(pyridazin-3-ylamino)butanoate

methyl 3-methyl-2-(pyridazin-3-ylamino)butanoate (PubChem CID 62482219) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 3-methyl-2-(pyridazin-3-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(pyridazin-3-ylamino)butanoate
PubChem CID62482219
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 3-methyl-2-(pyridazin-3-ylamino)butanoate
SMILESCOC(=O)C(Nc1cccnn1)C(C)C
InChIInChI=1S/C10H15N3O2/c1-7(2)9(10(14)15-3)12-8-5-4-6-11-13-8/h4-7,9H,1-3H3,(H,12,13)
InChIKeyOHMDPCUJPPSTTI-UHFFFAOYSA-N
XLogP1.09
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(pyridazin-3-ylamino)butanoate?
The IUPAC name of methyl 3-methyl-2-(pyridazin-3-ylamino)butanoate (CID 62482219) is methyl 3-methyl-2-(pyridazin-3-ylamino)butanoate.
What is the SMILES notation for methyl 3-methyl-2-(pyridazin-3-ylamino)butanoate?
The canonical SMILES for methyl 3-methyl-2-(pyridazin-3-ylamino)butanoate is COC(=O)C(Nc1cccnn1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-(pyridazin-3-ylamino)butanoate?
The InChIKey is OHMDPCUJPPSTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(2)9(10(14)15-3)12-8-5-4-6-11-13-8/h4-7,9H,1-3H3,(H,12,13).
What are the key properties of methyl 3-methyl-2-(pyridazin-3-ylamino)butanoate?
methyl 3-methyl-2-(pyridazin-3-ylamino)butanoate has a molecular weight of 209.25 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(pyridazin-3-ylamino)butanoate is sourced from PubChem (CID 62482219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).