3-propan-2-yl-6,7a-dihydro-3aH-imidazo[4,5-d]pyridazin-7-one

C8H12N4O — CID 157373442

IUPAC3-propan-2-yl-6,7a-dihydro-3aH-imidazo[4,5-d]pyridazin-7-one
SMILESCC(C)N1C=NC2C(=O)NN=CC21
InChIInChI=1S/C8H12N4O/c1-5(2)12-4-9-7-6(12)3-10-11-8(7)13/h3-7H,1-2H3,(H,11,13)
InChIKeyXHAZFQGTFBSSDH-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.41
Rot. Bonds1

About 3-propan-2-yl-6,7a-dihydro-3aH-imidazo[4,5-d]pyridazin-7-one

3-propan-2-yl-6,7a-dihydro-3aH-imidazo[4,5-d]pyridazin-7-one (PubChem CID 157373442) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-propan-2-yl-6,7a-dihydro-3aH-imidazo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name3-propan-2-yl-6,7a-dihydro-3aH-imidazo[4,5-d]pyridazin-7-one
PubChem CID157373442
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name3-propan-2-yl-6,7a-dihydro-3aH-imidazo[4,5-d]pyridazin-7-one
SMILESCC(C)N1C=NC2C(=O)NN=CC21
InChIInChI=1S/C8H12N4O/c1-5(2)12-4-9-7-6(12)3-10-11-8(7)13/h3-7H,1-2H3,(H,11,13)
InChIKeyXHAZFQGTFBSSDH-UHFFFAOYSA-N
XLogP-0.41
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 147798893
4,5-ditert-butyl-4,5-dihydro-1H-pyridazin-6-one
CID 90192644
1,5-di(propan-2-yl)-2,5-dihydro-1,2,4-triazin-6-one
CID 20641757
N-[(4S,5S)-9-acetyl-6-oxo-4,5-dihydro-1H-purin-2-yl]acetamide
CID 37029884
N-(9-ethyl-6-oxo-4,5-dihydro-1H-purin-2-yl)-2-methylpropanamide
CID 59085380
propyl 4-methyl-6-oxo-4,5-dihydro-1H-pyridazine-5-carboxylate
CID 54388322
3-hydroxy-5,6-dimethyl-4-propan-2-yl-1,3-dihydropyrazin-2-one
CID 163611020
1-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 159038205
2-amino-3,5-di(propan-2-yl)-1,2-dihydropyrimidin-6-one
CID 166497205
3-propan-2-yl-3,4-diazabicyclo[4.1.0]hept-4-en-2-one
CID 68715981
1-(3-propan-2-ylimidazol-4-yl)propan-2-one
CID 83873505
[(2S)-2-[[(4R,5S)-2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl]methoxy]-3-hydroxypropyl] (2S)-2-amino-3-methylbutanoate
CID 97289464

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6,7a-dihydro-3aH-imidazo[4,5-d]pyridazin-7-one?
The IUPAC name of 3-propan-2-yl-6,7a-dihydro-3aH-imidazo[4,5-d]pyridazin-7-one (CID 157373442) is 3-propan-2-yl-6,7a-dihydro-3aH-imidazo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 3-propan-2-yl-6,7a-dihydro-3aH-imidazo[4,5-d]pyridazin-7-one?
The canonical SMILES for 3-propan-2-yl-6,7a-dihydro-3aH-imidazo[4,5-d]pyridazin-7-one is CC(C)N1C=NC2C(=O)NN=CC21.
What is the InChIKey of 3-propan-2-yl-6,7a-dihydro-3aH-imidazo[4,5-d]pyridazin-7-one?
The InChIKey is XHAZFQGTFBSSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-5(2)12-4-9-7-6(12)3-10-11-8(7)13/h3-7H,1-2H3,(H,11,13).
What are the key properties of 3-propan-2-yl-6,7a-dihydro-3aH-imidazo[4,5-d]pyridazin-7-one?
3-propan-2-yl-6,7a-dihydro-3aH-imidazo[4,5-d]pyridazin-7-one has a molecular weight of 180.21 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6,7a-dihydro-3aH-imidazo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 157373442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).