4-(4,5-dihydroimidazol-1-yl)pyridazine-3-carboxylic acid

C8H8N4O2 — CID 22075924

IUPAC4-(4,5-dihydroimidazol-1-yl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1nnccc1N1C=NCC1
InChIInChI=1S/C8H8N4O2/c13-8(14)7-6(1-2-10-11-7)12-4-3-9-5-12/h1-2,5H,3-4H2,(H,13,14)
InChIKeyNLGLZTBZKASKDI-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.02
Rot. Bonds2

About 4-(4,5-dihydroimidazol-1-yl)pyridazine-3-carboxylic acid

4-(4,5-dihydroimidazol-1-yl)pyridazine-3-carboxylic acid (PubChem CID 22075924) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 4-(4,5-dihydroimidazol-1-yl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4,5-dihydroimidazol-1-yl)pyridazine-3-carboxylic acid
PubChem CID22075924
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name4-(4,5-dihydroimidazol-1-yl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1nnccc1N1C=NCC1
InChIInChI=1S/C8H8N4O2/c13-8(14)7-6(1-2-10-11-7)12-4-3-9-5-12/h1-2,5H,3-4H2,(H,13,14)
InChIKeyNLGLZTBZKASKDI-UHFFFAOYSA-N
XLogP0.02
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Aminopyridazine-3-carboxylic acid
CID 6402483
4-(4-Fluoroanilino)pyridazine-3-carboxylic acid
CID 155250939
2-Fluoro-5-pyrrolidin-1-ylpyridazin-2-ium-3-carboxylic acid
CID 176815585
4-Piperazin-1-ylpyridazine-3-carboxylic acid
CID 69383055
4-Morpholin-4-ylpyridazine-3-carboxylic acid
CID 153864652
4-(Diazepan-1-yl)pyridazine-3-carboxylic acid
CID 153914120
4-(4-Hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid
CID 155212598
4-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]amino]pyridazine-3-carboxylic acid
CID 156465483
4-Anilinopyridazine-3-carboxylic acid
CID 156465580
4-(2,5-Dioxopyrrolidin-1-yl)pyridazine-3-carboxylic acid
CID 162732471
5-Pyrrolidin-1-ylpyridazine-3-carboxylic acid
CID 171084450
4-[4-[(2-Methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridazine-3-carboxylic acid
CID 175767104

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydroimidazol-1-yl)pyridazine-3-carboxylic acid?
The IUPAC name of 4-(4,5-dihydroimidazol-1-yl)pyridazine-3-carboxylic acid (CID 22075924) is 4-(4,5-dihydroimidazol-1-yl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 4-(4,5-dihydroimidazol-1-yl)pyridazine-3-carboxylic acid?
The canonical SMILES for 4-(4,5-dihydroimidazol-1-yl)pyridazine-3-carboxylic acid is O=C(O)c1nnccc1N1C=NCC1.
What is the InChIKey of 4-(4,5-dihydroimidazol-1-yl)pyridazine-3-carboxylic acid?
The InChIKey is NLGLZTBZKASKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c13-8(14)7-6(1-2-10-11-7)12-4-3-9-5-12/h1-2,5H,3-4H2,(H,13,14).
What are the key properties of 4-(4,5-dihydroimidazol-1-yl)pyridazine-3-carboxylic acid?
4-(4,5-dihydroimidazol-1-yl)pyridazine-3-carboxylic acid has a molecular weight of 192.18 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydroimidazol-1-yl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 22075924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).