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

C12H16ClN5O — CID 133378177

IUPAC4-chloro-2-methyl-5-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyridazin-3-one
SMILESCc1cc(CC(C)Nc2cnn(C)c(=O)c2Cl)n[nH]1
InChIInChI=1S/C12H16ClN5O/c1-7(4-9-5-8(2)16-17-9)15-10-6-14-18(3)12(19)11(10)13/h5-7,15H,4H2,1-3H3,(H,16,17)
InChIKeyVVJFRVKIHUIWPY-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.51
Rot. Bonds4

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

4-chloro-2-methyl-5-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyridazin-3-one (PubChem CID 133378177) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyridazin-3-one
PubChem CID133378177
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name4-chloro-2-methyl-5-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyridazin-3-one
SMILESCc1cc(CC(C)Nc2cnn(C)c(=O)c2Cl)n[nH]1
InChIInChI=1S/C12H16ClN5O/c1-7(4-9-5-8(2)16-17-9)15-10-6-14-18(3)12(19)11(10)13/h5-7,15H,4H2,1-3H3,(H,16,17)
InChIKeyVVJFRVKIHUIWPY-UHFFFAOYSA-N
XLogP1.51
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylpyridazin-3-one
CID 51932024
4-chloro-5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylpyridazin-3-one
CID 115580005
5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one
CID 115577699
5-ethyl-2-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine
CID 50970028
4-chloro-2-methyl-5-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridazin-3-one
CID 133302491
5-ethyl-2-methyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine
CID 95131902
4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one
CID 102698939
4-chloro-5-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpyridazin-3-one
CID 115612275
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
1-(1-methyl-3-propylpyrazol-5-yl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99587018
N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide
CID 95228203
4-chloro-5-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-2-propan-2-ylpyridazin-3-one
CID 114438732

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyridazin-3-one (CID 133378177) is 4-chloro-2-methyl-5-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyridazin-3-one is Cc1cc(CC(C)Nc2cnn(C)c(=O)c2Cl)n[nH]1.
What is the InChIKey of 4-chloro-2-methyl-5-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyridazin-3-one?
The InChIKey is VVJFRVKIHUIWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-7(4-9-5-8(2)16-17-9)15-10-6-14-18(3)12(19)11(10)13/h5-7,15H,4H2,1-3H3,(H,16,17).
What are the key properties of 4-chloro-2-methyl-5-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyridazin-3-one?
4-chloro-2-methyl-5-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyridazin-3-one has a molecular weight of 281.75 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyridazin-3-one is sourced from PubChem (CID 133378177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).