3-chloro-5-propan-2-yl-7H-imidazo[4,5-c]pyridazin-6-one

C8H9ClN4O — CID 170722690

IUPAC3-chloro-5-propan-2-yl-7H-imidazo[4,5-c]pyridazin-6-one
SMILESCC(C)n1c(=O)[nH]c2nnc(Cl)cc21
InChIInChI=1S/C8H9ClN4O/c1-4(2)13-5-3-6(9)11-12-7(5)10-8(13)14/h3-4H,1-2H3,(H,10,12,14)
InChIKeyKORVRTGHUATMND-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.35
Rot. Bonds1

About 3-chloro-5-propan-2-yl-7H-imidazo[4,5-c]pyridazin-6-one

3-chloro-5-propan-2-yl-7H-imidazo[4,5-c]pyridazin-6-one (PubChem CID 170722690) has the molecular formula C8H9ClN4O and a molecular weight of 212.64 g/mol. Its IUPAC name is 3-chloro-5-propan-2-yl-7H-imidazo[4,5-c]pyridazin-6-one.

Molecular Properties

Compound Name3-chloro-5-propan-2-yl-7H-imidazo[4,5-c]pyridazin-6-one
PubChem CID170722690
Molecular FormulaC8H9ClN4O
Molecular Weight212.64 g/mol
Exact Mass212.05
IUPAC Name3-chloro-5-propan-2-yl-7H-imidazo[4,5-c]pyridazin-6-one
SMILESCC(C)n1c(=O)[nH]c2nnc(Cl)cc21
InChIInChI=1S/C8H9ClN4O/c1-4(2)13-5-3-6(9)11-12-7(5)10-8(13)14/h3-4H,1-2H3,(H,10,12,14)
InChIKeyKORVRTGHUATMND-UHFFFAOYSA-N
XLogP1.35
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-Chloropyridazin-3-yl)-4,4-dimethylimidazolidin-2-one
CID 57516776
1-(6-Chloro-pyridazin-3-yl)-3,4,4-trimethyl-imidazolidin-2-one
CID 57516777
7-propan-2-yl-5H-imidazo[4,5-c]pyridazin-6-one
CID 58812164
1-(6-Chloropyridazin-3-yl)-5,5-dimethylimidazolidin-2-one
CID 87405540
6-Chloro-4-(pyrrolidin-1-yl)pyridazin-3-amine
CID 90133866
3-chloro-7-methyl-5H-imidazo[4,5-c]pyridazin-6-one
CID 117272907
3-Chloro-5,7-dimethylimidazo[4,5-c]pyridazin-6-one
CID 117272908
3-(3-amino-6-chloropyridazin-4-yl)-N,N-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 122507935
4-(3-amino-6-chloropyridazin-4-yl)-2,6-diethyl-N,N-dimethylpiperazine-1-carboxamide
CID 122544290
5-propan-2-yl-7H-imidazo[4,5-c]pyridazin-6-one
CID 122697126
3-(3-amino-6-chloropyridazin-4-yl)-N,N-dimethyl-3,6-diazabicyclo[3.2.1]octane-6-carboxamide
CID 134383089
N-[(3R)-1-(3-amino-6-chloropyridazin-4-yl)pyrrolidin-3-yl]acetamide
CID 135217284

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-propan-2-yl-7H-imidazo[4,5-c]pyridazin-6-one?
The IUPAC name of 3-chloro-5-propan-2-yl-7H-imidazo[4,5-c]pyridazin-6-one (CID 170722690) is 3-chloro-5-propan-2-yl-7H-imidazo[4,5-c]pyridazin-6-one.
What is the SMILES notation for 3-chloro-5-propan-2-yl-7H-imidazo[4,5-c]pyridazin-6-one?
The canonical SMILES for 3-chloro-5-propan-2-yl-7H-imidazo[4,5-c]pyridazin-6-one is CC(C)n1c(=O)[nH]c2nnc(Cl)cc21.
What is the InChIKey of 3-chloro-5-propan-2-yl-7H-imidazo[4,5-c]pyridazin-6-one?
The InChIKey is KORVRTGHUATMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O/c1-4(2)13-5-3-6(9)11-12-7(5)10-8(13)14/h3-4H,1-2H3,(H,10,12,14).
What are the key properties of 3-chloro-5-propan-2-yl-7H-imidazo[4,5-c]pyridazin-6-one?
3-chloro-5-propan-2-yl-7H-imidazo[4,5-c]pyridazin-6-one has a molecular weight of 212.64 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-propan-2-yl-7H-imidazo[4,5-c]pyridazin-6-one is sourced from PubChem (CID 170722690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).