2-(5H-imidazo[4,5-c]pyridazin-6-yl)acetic acid

C7H6N4O2 — CID 112710710

IUPAC2-(5H-imidazo[4,5-c]pyridazin-6-yl)acetic acid
SMILESO=C(O)Cc1nc2nnccc2[nH]1
InChIInChI=1S/C7H6N4O2/c12-6(13)3-5-9-4-1-2-8-11-7(4)10-5/h1-2H,3H2,(H,12,13)(H,9,10,11)
InChIKeyPJZSBQGHFRXYNS-UHFFFAOYSA-N
MW178.15 g/mol
LogP-0.02
Rot. Bonds2

About 2-(5H-imidazo[4,5-c]pyridazin-6-yl)acetic acid

2-(5H-imidazo[4,5-c]pyridazin-6-yl)acetic acid (PubChem CID 112710710) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 2-(5H-imidazo[4,5-c]pyridazin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(5H-imidazo[4,5-c]pyridazin-6-yl)acetic acid
PubChem CID112710710
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name2-(5H-imidazo[4,5-c]pyridazin-6-yl)acetic acid
SMILESO=C(O)Cc1nc2nnccc2[nH]1
InChIInChI=1S/C7H6N4O2/c12-6(13)3-5-9-4-1-2-8-11-7(4)10-5/h1-2H,3H2,(H,12,13)(H,9,10,11)
InChIKeyPJZSBQGHFRXYNS-UHFFFAOYSA-N
XLogP-0.02
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5H-imidazo[4,5-c]pyridazin-6-yl)propanoic acid
CID 83857665
1-(5H-imidazo[4,5-c]pyridazin-6-yl)-N-methylmethanamine
CID 112710701
2-(6-cyano-1H-benzimidazol-2-yl)acetic acid
CID 22002129
2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid
CID 3159719
2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid
CID 61366087
2-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaen-4-yl)acetic acid
CID 142379920
2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid
CID 82331853
2-(6-sulfanylidene-1H-pyrimidin-2-yl)acetic acid
CID 70472734
4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid
CID 62934312
ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate
CID 91082689
2-[1-[[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]cyclopentyl]acetic acid
CID 79817625
5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)pentanoic acid
CID 81137605

Frequently Asked Questions

What is the IUPAC name of 2-(5H-imidazo[4,5-c]pyridazin-6-yl)acetic acid?
The IUPAC name of 2-(5H-imidazo[4,5-c]pyridazin-6-yl)acetic acid (CID 112710710) is 2-(5H-imidazo[4,5-c]pyridazin-6-yl)acetic acid.
What is the SMILES notation for 2-(5H-imidazo[4,5-c]pyridazin-6-yl)acetic acid?
The canonical SMILES for 2-(5H-imidazo[4,5-c]pyridazin-6-yl)acetic acid is O=C(O)Cc1nc2nnccc2[nH]1.
What is the InChIKey of 2-(5H-imidazo[4,5-c]pyridazin-6-yl)acetic acid?
The InChIKey is PJZSBQGHFRXYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c12-6(13)3-5-9-4-1-2-8-11-7(4)10-5/h1-2H,3H2,(H,12,13)(H,9,10,11).
What are the key properties of 2-(5H-imidazo[4,5-c]pyridazin-6-yl)acetic acid?
2-(5H-imidazo[4,5-c]pyridazin-6-yl)acetic acid has a molecular weight of 178.15 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-imidazo[4,5-c]pyridazin-6-yl)acetic acid is sourced from PubChem (CID 112710710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).