2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid

C17H16N4O2 — CID 82167208

IUPAC2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid
SMILESO=C(O)Cc1nnc2ccc(-c3ccc4c(c3)CCCC4)nn12
InChIInChI=1S/C17H16N4O2/c22-17(23)10-16-19-18-15-8-7-14(20-21(15)16)13-6-5-11-3-1-2-4-12(11)9-13/h5-9H,1-4,10H2,(H,22,23)
InChIKeyKXOBQORMANDSKS-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.30
Rot. Bonds3

About 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid

2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid (PubChem CID 82167208) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid
PubChem CID82167208
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid
SMILESO=C(O)Cc1nnc2ccc(-c3ccc4c(c3)CCCC4)nn12
InChIInChI=1S/C17H16N4O2/c22-17(23)10-16-19-18-15-8-7-14(20-21(15)16)13-6-5-11-3-1-2-4-12(11)9-13/h5-9H,1-4,10H2,(H,22,23)
InChIKeyKXOBQORMANDSKS-UHFFFAOYSA-N
XLogP2.30
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid
CID 95934378
3-bromo-6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[1,2-b]pyridazine
CID 116854950
2-[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid
CID 84674904
7-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-2H-naphthalen-1-one
CID 175976372
2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid
CID 82305966
2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid
CID 82488178
2-(6-phenyl-8-propyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid
CID 19104906
2-bromo-6-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-b]pyridazine
CID 116854761
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]acetic acid
CID 82305106
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 9174069
2-[6-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazin-3-yl]acetamide
CID 82381300
3-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanoic acid
CID 82123787

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid?
The IUPAC name of 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid (CID 82167208) is 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid?
The canonical SMILES for 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid is O=C(O)Cc1nnc2ccc(-c3ccc4c(c3)CCCC4)nn12.
What is the InChIKey of 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid?
The InChIKey is KXOBQORMANDSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(23)10-16-19-18-15-8-7-14(20-21(15)16)13-6-5-11-3-1-2-4-12(11)9-13/h5-9H,1-4,10H2,(H,22,23).
What are the key properties of 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid?
2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid has a molecular weight of 308.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid is sourced from PubChem (CID 82167208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).