1-(2-hydroxy-2-methylpropyl)-3,5-dimethylpyridazin-4-one

C10H16N2O2 — CID 167082386

IUPAC1-(2-hydroxy-2-methylpropyl)-3,5-dimethylpyridazin-4-one
SMILESCc1cn(CC(C)(C)O)nc(C)c1=O
InChIInChI=1S/C10H16N2O2/c1-7-5-12(6-10(3,4)14)11-8(2)9(7)13/h5,14H,6H2,1-4H3
InChIKeyCTOGGNXQEUZJQX-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.63
Rot. Bonds2

About 1-(2-hydroxy-2-methylpropyl)-3,5-dimethylpyridazin-4-one

1-(2-hydroxy-2-methylpropyl)-3,5-dimethylpyridazin-4-one (PubChem CID 167082386) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-3,5-dimethylpyridazin-4-one.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-3,5-dimethylpyridazin-4-one
PubChem CID167082386
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(2-hydroxy-2-methylpropyl)-3,5-dimethylpyridazin-4-one
SMILESCc1cn(CC(C)(C)O)nc(C)c1=O
InChIInChI=1S/C10H16N2O2/c1-7-5-12(6-10(3,4)14)11-8(2)9(7)13/h5,14H,6H2,1-4H3
InChIKeyCTOGGNXQEUZJQX-UHFFFAOYSA-N
XLogP0.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 144607283
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CID 144607417
2-methyl-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 169217856
ethane;1-(4-ethyl-3-methoxypyrazol-1-yl)-2-methylpropan-2-ol
CID 170573642
1-[3-(difluoromethyl)-4-iodopyrazol-1-yl]-2-methylpropan-2-ol
CID 170247527
1-(3-chloro-4-methylsulfanylpyrazol-1-yl)-2-methylpropan-2-ol
CID 170144726
1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane
CID 178006220
1-ethyl-3,4-dimethylpyrazole
CID 23556587
4-(4-chloro-3-methylpyrazol-1-yl)-2-methylbutan-2-ol
CID 79360049
3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-ol
CID 164652796
methyl 5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 171656041
1-(4-bromotriazol-1-yl)-2-methylpropan-2-ol
CID 162341696

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-3,5-dimethylpyridazin-4-one?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-3,5-dimethylpyridazin-4-one (CID 167082386) is 1-(2-hydroxy-2-methylpropyl)-3,5-dimethylpyridazin-4-one.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-3,5-dimethylpyridazin-4-one?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-3,5-dimethylpyridazin-4-one is Cc1cn(CC(C)(C)O)nc(C)c1=O.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-3,5-dimethylpyridazin-4-one?
The InChIKey is CTOGGNXQEUZJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7-5-12(6-10(3,4)14)11-8(2)9(7)13/h5,14H,6H2,1-4H3.
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-3,5-dimethylpyridazin-4-one?
1-(2-hydroxy-2-methylpropyl)-3,5-dimethylpyridazin-4-one has a molecular weight of 196.25 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-3,5-dimethylpyridazin-4-one is sourced from PubChem (CID 167082386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).