3-(5H-imidazo[4,5-c]pyridazin-6-yl)propanoic acid

C8H8N4O2 — CID 83857665

IUPAC3-(5H-imidazo[4,5-c]pyridazin-6-yl)propanoic acid
SMILESO=C(O)CCc1nc2nnccc2[nH]1
InChIInChI=1S/C8H8N4O2/c13-7(14)2-1-6-10-5-3-4-9-12-8(5)11-6/h3-4H,1-2H2,(H,13,14)(H,10,11,12)
InChIKeyUTZSXANFXRXBBD-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.37
Rot. Bonds3

About 3-(5H-imidazo[4,5-c]pyridazin-6-yl)propanoic acid

3-(5H-imidazo[4,5-c]pyridazin-6-yl)propanoic acid (PubChem CID 83857665) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 3-(5H-imidazo[4,5-c]pyridazin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(5H-imidazo[4,5-c]pyridazin-6-yl)propanoic acid
PubChem CID83857665
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name3-(5H-imidazo[4,5-c]pyridazin-6-yl)propanoic acid
SMILESO=C(O)CCc1nc2nnccc2[nH]1
InChIInChI=1S/C8H8N4O2/c13-7(14)2-1-6-10-5-3-4-9-12-8(5)11-6/h3-4H,1-2H2,(H,13,14)(H,10,11,12)
InChIKeyUTZSXANFXRXBBD-UHFFFAOYSA-N
XLogP0.37
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5H-imidazo[4,5-c]pyridazin-6-yl)acetic acid
CID 112710710
3-(7H-purin-8-yl)propanoic acid
CID 83671901
1-(5H-imidazo[4,5-c]pyridazin-6-yl)-N-methylmethanamine
CID 112710701
5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)pentanoic acid
CID 81137605
3-(5,6-dichloro-1H-benzimidazol-2-yl)propanoic acid
CID 13042082
3-(6-ethyl-1H-benzimidazol-2-yl)propanoic acid
CID 79017254
3-(5-chloro-4-methyl-1H-benzimidazol-2-yl)propanoic acid
CID 84629227
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propanoic acid
CID 6484257
3-(4-tert-butyl-1H-benzimidazol-2-yl)propanoic acid
CID 84632338
3-(1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazol-2-yl)propanoic acid
CID 43114624
N'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide
CID 170856227
3-(4-chloro-6-methyl-1H-benzimidazol-2-yl)propanoic acid
CID 84629228

Frequently Asked Questions

What is the IUPAC name of 3-(5H-imidazo[4,5-c]pyridazin-6-yl)propanoic acid?
The IUPAC name of 3-(5H-imidazo[4,5-c]pyridazin-6-yl)propanoic acid (CID 83857665) is 3-(5H-imidazo[4,5-c]pyridazin-6-yl)propanoic acid.
What is the SMILES notation for 3-(5H-imidazo[4,5-c]pyridazin-6-yl)propanoic acid?
The canonical SMILES for 3-(5H-imidazo[4,5-c]pyridazin-6-yl)propanoic acid is O=C(O)CCc1nc2nnccc2[nH]1.
What is the InChIKey of 3-(5H-imidazo[4,5-c]pyridazin-6-yl)propanoic acid?
The InChIKey is UTZSXANFXRXBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c13-7(14)2-1-6-10-5-3-4-9-12-8(5)11-6/h3-4H,1-2H2,(H,13,14)(H,10,11,12).
What are the key properties of 3-(5H-imidazo[4,5-c]pyridazin-6-yl)propanoic acid?
3-(5H-imidazo[4,5-c]pyridazin-6-yl)propanoic acid has a molecular weight of 192.18 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5H-imidazo[4,5-c]pyridazin-6-yl)propanoic acid is sourced from PubChem (CID 83857665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).