1-(5-propan-2-ylpyridazin-3-yl)propan-1-one

C10H14N2O — CID 170384637

IUPAC1-(5-propan-2-ylpyridazin-3-yl)propan-1-one
SMILESCCC(=O)c1cc(C(C)C)cnn1
InChIInChI=1S/C10H14N2O/c1-4-10(13)9-5-8(7(2)3)6-11-12-9/h5-7H,4H2,1-3H3
InChIKeyURJOVKPGPNHYBQ-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.19
Rot. Bonds3

About 1-(5-propan-2-ylpyridazin-3-yl)propan-1-one

1-(5-propan-2-ylpyridazin-3-yl)propan-1-one (PubChem CID 170384637) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(5-propan-2-ylpyridazin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-propan-2-ylpyridazin-3-yl)propan-1-one
PubChem CID170384637
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-(5-propan-2-ylpyridazin-3-yl)propan-1-one
SMILESCCC(=O)c1cc(C(C)C)cnn1
InChIInChI=1S/C10H14N2O/c1-4-10(13)9-5-8(7(2)3)6-11-12-9/h5-7H,4H2,1-3H3
InChIKeyURJOVKPGPNHYBQ-UHFFFAOYSA-N
XLogP2.19
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-di(propan-2-yl)pyridazine
CID 21037378
2-(dimethylamino)-N-(5-propan-2-ylpyridazin-3-yl)acetamide
CID 169024562
1-(5-propan-2-yl-3-pyridinyl)pentan-1-one
CID 159567241
N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-5-propan-2-ylpyridazine-3-carboxamide
CID 130375933
1-(1,2,4-triazin-5-yl)propan-1-one
CID 82418564
1-(2-propan-2-yl-1,3-oxazol-4-yl)propan-1-one
CID 133054612
5-propan-2-yl-N-(2-propylpentyl)pyridazin-3-amine
CID 170099297
CID 89241370
CID 89241370
methyl 2-(5-propan-2-yl-3-pyridinyl)acetate
CID 20824070
N,N-dimethyl-5-propan-2-ylpyridine-3-carboxamide
CID 59135268
2-(diethylamino)-2-(4-propan-2-ylphenyl)acetamide
CID 112510339
7-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 7520006

Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-ylpyridazin-3-yl)propan-1-one?
The IUPAC name of 1-(5-propan-2-ylpyridazin-3-yl)propan-1-one (CID 170384637) is 1-(5-propan-2-ylpyridazin-3-yl)propan-1-one.
What is the SMILES notation for 1-(5-propan-2-ylpyridazin-3-yl)propan-1-one?
The canonical SMILES for 1-(5-propan-2-ylpyridazin-3-yl)propan-1-one is CCC(=O)c1cc(C(C)C)cnn1.
What is the InChIKey of 1-(5-propan-2-ylpyridazin-3-yl)propan-1-one?
The InChIKey is URJOVKPGPNHYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-4-10(13)9-5-8(7(2)3)6-11-12-9/h5-7H,4H2,1-3H3.
What are the key properties of 1-(5-propan-2-ylpyridazin-3-yl)propan-1-one?
1-(5-propan-2-ylpyridazin-3-yl)propan-1-one has a molecular weight of 178.23 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-ylpyridazin-3-yl)propan-1-one is sourced from PubChem (CID 170384637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).