4-chloro-2-(2-methylpropyl)-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridazin-3-one

C13H18ClN5O — CID 114434295

IUPAC4-chloro-2-(2-methylpropyl)-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridazin-3-one
SMILESCc1[nH]ncc1CNc1cnn(CC(C)C)c(=O)c1Cl
InChIInChI=1S/C13H18ClN5O/c1-8(2)7-19-13(20)12(14)11(6-17-19)15-4-10-5-16-18-9(10)3/h5-6,8,15H,4,7H2,1-3H3,(H,16,18)
InChIKeyVOAIXQJQBXISIA-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.20
Rot. Bonds5

About 4-chloro-2-(2-methylpropyl)-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridazin-3-one

4-chloro-2-(2-methylpropyl)-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridazin-3-one (PubChem CID 114434295) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-chloro-2-(2-methylpropyl)-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-methylpropyl)-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridazin-3-one
PubChem CID114434295
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name4-chloro-2-(2-methylpropyl)-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridazin-3-one
SMILESCc1[nH]ncc1CNc1cnn(CC(C)C)c(=O)c1Cl
InChIInChI=1S/C13H18ClN5O/c1-8(2)7-19-13(20)12(14)11(6-17-19)15-4-10-5-16-18-9(10)3/h5-6,8,15H,4,7H2,1-3H3,(H,16,18)
InChIKeyVOAIXQJQBXISIA-UHFFFAOYSA-N
XLogP2.20
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methylpropyl)-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-methylpropyl)-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridazin-3-one (CID 114434295) is 4-chloro-2-(2-methylpropyl)-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-methylpropyl)-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-methylpropyl)-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridazin-3-one is Cc1[nH]ncc1CNc1cnn(CC(C)C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-(2-methylpropyl)-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridazin-3-one?
The InChIKey is VOAIXQJQBXISIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-8(2)7-19-13(20)12(14)11(6-17-19)15-4-10-5-16-18-9(10)3/h5-6,8,15H,4,7H2,1-3H3,(H,16,18).
What are the key properties of 4-chloro-2-(2-methylpropyl)-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridazin-3-one?
4-chloro-2-(2-methylpropyl)-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridazin-3-one has a molecular weight of 295.77 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methylpropyl)-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114434295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).