4,5,6-trimethyl-2-propan-2-ylpyridazin-3-one

C10H16N2O — CID 58962214

IUPAC4,5,6-trimethyl-2-propan-2-ylpyridazin-3-one
SMILESCc1nn(C(C)C)c(=O)c(C)c1C
InChIInChI=1S/C10H16N2O/c1-6(2)12-10(13)8(4)7(3)9(5)11-12/h6H,1-5H3
InChIKeyBTNRJIXGCVNIGN-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.75
Rot. Bonds1

About 4,5,6-trimethyl-2-propan-2-ylpyridazin-3-one

4,5,6-trimethyl-2-propan-2-ylpyridazin-3-one (PubChem CID 58962214) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4,5,6-trimethyl-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4,5,6-trimethyl-2-propan-2-ylpyridazin-3-one
PubChem CID58962214
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4,5,6-trimethyl-2-propan-2-ylpyridazin-3-one
SMILESCc1nn(C(C)C)c(=O)c(C)c1C
InChIInChI=1S/C10H16N2O/c1-6(2)12-10(13)8(4)7(3)9(5)11-12/h6H,1-5H3
InChIKeyBTNRJIXGCVNIGN-UHFFFAOYSA-N
XLogP1.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 4,5,6-trimethyl-2-propan-2-ylpyridazin-3-one (CID 58962214) is 4,5,6-trimethyl-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4,5,6-trimethyl-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4,5,6-trimethyl-2-propan-2-ylpyridazin-3-one is Cc1nn(C(C)C)c(=O)c(C)c1C.
What is the InChIKey of 4,5,6-trimethyl-2-propan-2-ylpyridazin-3-one?
The InChIKey is BTNRJIXGCVNIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6(2)12-10(13)8(4)7(3)9(5)11-12/h6H,1-5H3.
What are the key properties of 4,5,6-trimethyl-2-propan-2-ylpyridazin-3-one?
4,5,6-trimethyl-2-propan-2-ylpyridazin-3-one has a molecular weight of 180.25 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 58962214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).