5-(3-methylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one

C12H18N2O — CID 155276796

IUPAC5-(3-methylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one
SMILESCC1CC(c2cc(C(C)C)n[nH]c2=O)C1
InChIInChI=1S/C12H18N2O/c1-7(2)11-6-10(12(15)14-13-11)9-4-8(3)5-9/h6-9H,4-5H2,1-3H3,(H,14,15)
InChIKeyBGNDZUUDRVVNFL-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.41
Rot. Bonds2

About 5-(3-methylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one

5-(3-methylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one (PubChem CID 155276796) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-(3-methylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(3-methylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one
PubChem CID155276796
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-(3-methylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one
SMILESCC1CC(c2cc(C(C)C)n[nH]c2=O)C1
InChIInChI=1S/C12H18N2O/c1-7(2)11-6-10(12(15)14-13-11)9-4-8(3)5-9/h6-9H,4-5H2,1-3H3,(H,14,15)
InChIKeyBGNDZUUDRVVNFL-UHFFFAOYSA-N
XLogP2.41
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one?
The IUPAC name of 5-(3-methylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one (CID 155276796) is 5-(3-methylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(3-methylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-(3-methylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one is CC1CC(c2cc(C(C)C)n[nH]c2=O)C1.
What is the InChIKey of 5-(3-methylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one?
The InChIKey is BGNDZUUDRVVNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-7(2)11-6-10(12(15)14-13-11)9-4-8(3)5-9/h6-9H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 5-(3-methylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one?
5-(3-methylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one has a molecular weight of 206.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 155276796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).