ethyl 2-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]acetate

C9H12N6O2 — CID 71683356

IUPACethyl 2-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]acetate
SMILESCCOC(=O)CN(C)c1ccc2nnnn2n1
InChIInChI=1S/C9H12N6O2/c1-3-17-9(16)6-14(2)8-5-4-7-10-12-13-15(7)11-8/h4-5H,3,6H2,1-2H3
InChIKeyQRQBQHZGMDIVLA-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.48
Rot. Bonds4

About ethyl 2-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]acetate

ethyl 2-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]acetate (PubChem CID 71683356) has the molecular formula C9H12N6O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is ethyl 2-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]acetate
PubChem CID71683356
Molecular FormulaC9H12N6O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Nameethyl 2-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]acetate
SMILESCCOC(=O)CN(C)c1ccc2nnnn2n1
InChIInChI=1S/C9H12N6O2/c1-3-17-9(16)6-14(2)8-5-4-7-10-12-13-15(7)11-8/h4-5H,3,6H2,1-2H3
InChIKeyQRQBQHZGMDIVLA-UHFFFAOYSA-N
XLogP-0.48
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]acetate?
The IUPAC name of ethyl 2-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]acetate (CID 71683356) is ethyl 2-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]acetate is CCOC(=O)CN(C)c1ccc2nnnn2n1.
What is the InChIKey of ethyl 2-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]acetate?
The InChIKey is QRQBQHZGMDIVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2/c1-3-17-9(16)6-14(2)8-5-4-7-10-12-13-15(7)11-8/h4-5H,3,6H2,1-2H3.
What are the key properties of ethyl 2-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]acetate?
ethyl 2-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]acetate has a molecular weight of 236.23 g/mol, XLogP of -0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]acetate is sourced from PubChem (CID 71683356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).