methyl 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetate

C8H8N4O2 — CID 103294346

IUPACmethyl 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetate
SMILESCOC(=O)Cc1nnc2cccnn12
InChIInChI=1S/C8H8N4O2/c1-14-8(13)5-7-11-10-6-3-2-4-9-12(6)7/h2-4H,5H2,1H3
InChIKeyZTRYVGKFGKONDP-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.16
Rot. Bonds2

About methyl 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetate

methyl 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetate (PubChem CID 103294346) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is methyl 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetate
PubChem CID103294346
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Namemethyl 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetate
SMILESCOC(=O)Cc1nnc2cccnn12
InChIInChI=1S/C8H8N4O2/c1-14-8(13)5-7-11-10-6-3-2-4-9-12(6)7/h2-4H,5H2,1H3
InChIKeyZTRYVGKFGKONDP-UHFFFAOYSA-N
XLogP-0.16
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 89233361
methyl 2-[5,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)piperidin-2-yl]acetate
CID 166308589
2-methoxy-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine
CID 103293868
N-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
CID 83387647
N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine
CID 103294067
methyl 2-[10-(2-methoxy-2-oxoethyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]acetate
CID 1480887
[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
CID 12606980
3,3-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-amine
CID 103293895
methyl 2-[3-(4-methoxyphenyl)-1,3,4,7,8,12-hexazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-5-yl]acetate
CID 66502557
methyl pyrrolo[1,2-b]pyridazine-7-carboxylate
CID 83381157
5-phenyl-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 167782694
ethyl 1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropane-1-carboxylate
CID 103294349

Frequently Asked Questions

What is the IUPAC name of methyl 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetate?
The IUPAC name of methyl 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetate (CID 103294346) is methyl 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetate.
What is the SMILES notation for methyl 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetate?
The canonical SMILES for methyl 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetate is COC(=O)Cc1nnc2cccnn12.
What is the InChIKey of methyl 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetate?
The InChIKey is ZTRYVGKFGKONDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-14-8(13)5-7-11-10-6-3-2-4-9-12(6)7/h2-4H,5H2,1H3.
What are the key properties of methyl 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetate?
methyl 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetate has a molecular weight of 192.18 g/mol, XLogP of -0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetate is sourced from PubChem (CID 103294346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).