4-bromo-2-propyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one

C11H14BrN5O — CID 114435100

IUPAC4-bromo-2-propyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one
SMILESCCCn1ncc(NCc2ccn[nH]2)c(Br)c1=O
InChIInChI=1S/C11H14BrN5O/c1-2-5-17-11(18)10(12)9(7-15-17)13-6-8-3-4-14-16-8/h3-4,7,13H,2,5-6H2,1H3,(H,14,16)
InChIKeyIZNDZKPWYVWLQP-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.75
Rot. Bonds5

About 4-bromo-2-propyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one

4-bromo-2-propyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one (PubChem CID 114435100) has the molecular formula C11H14BrN5O and a molecular weight of 312.17 g/mol. Its IUPAC name is 4-bromo-2-propyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-propyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one
PubChem CID114435100
Molecular FormulaC11H14BrN5O
Molecular Weight312.17 g/mol
Exact Mass311.04
IUPAC Name4-bromo-2-propyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one
SMILESCCCn1ncc(NCc2ccn[nH]2)c(Br)c1=O
InChIInChI=1S/C11H14BrN5O/c1-2-5-17-11(18)10(12)9(7-15-17)13-6-8-3-4-14-16-8/h3-4,7,13H,2,5-6H2,1H3,(H,14,16)
InChIKeyIZNDZKPWYVWLQP-UHFFFAOYSA-N
XLogP1.75
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-methyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one
CID 84583923
4-bromo-5-[(1-methylpyrazol-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114435162
4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114432195
4-bromo-5-[(3-ethylthiophen-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114440240
4-bromo-5-[(2,5-difluorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114438013
4-bromo-5-[(3-fluorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114432815
4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one
CID 114444606
4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one
CID 114436154
5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one
CID 114446777
4-bromo-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114439954
4-bromo-5-[(3-chloro-4-fluorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114437271
4-bromo-5-(3-methylbut-2-enylamino)-2-propylpyridazin-3-one
CID 114156177

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-propyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one?
The IUPAC name of 4-bromo-2-propyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one (CID 114435100) is 4-bromo-2-propyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-propyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-propyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one is CCCn1ncc(NCc2ccn[nH]2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-propyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one?
The InChIKey is IZNDZKPWYVWLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O/c1-2-5-17-11(18)10(12)9(7-15-17)13-6-8-3-4-14-16-8/h3-4,7,13H,2,5-6H2,1H3,(H,14,16).
What are the key properties of 4-bromo-2-propyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one?
4-bromo-2-propyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one has a molecular weight of 312.17 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-propyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one is sourced from PubChem (CID 114435100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).