4-(cyclopropylmethyl)-1H-pyridazin-6-one

C8H10N2O — CID 90901052

IUPAC4-(cyclopropylmethyl)-1H-pyridazin-6-one
SMILESO=c1cc(CC2CC2)cn[nH]1
InChIInChI=1S/C8H10N2O/c11-8-4-7(5-9-10-8)3-6-1-2-6/h4-6H,1-3H2,(H,10,11)
InChIKeyAFOSXBZZDMIBRL-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.72
Rot. Bonds2

About 4-(cyclopropylmethyl)-1H-pyridazin-6-one

4-(cyclopropylmethyl)-1H-pyridazin-6-one (PubChem CID 90901052) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-1H-pyridazin-6-one
PubChem CID90901052
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name4-(cyclopropylmethyl)-1H-pyridazin-6-one
SMILESO=c1cc(CC2CC2)cn[nH]1
InChIInChI=1S/C8H10N2O/c11-8-4-7(5-9-10-8)3-6-1-2-6/h4-6H,1-3H2,(H,10,11)
InChIKeyAFOSXBZZDMIBRL-UHFFFAOYSA-N
XLogP0.72
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-1H-pyridazin-6-one?
The IUPAC name of 4-(cyclopropylmethyl)-1H-pyridazin-6-one (CID 90901052) is 4-(cyclopropylmethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(cyclopropylmethyl)-1H-pyridazin-6-one is O=c1cc(CC2CC2)cn[nH]1.
What is the InChIKey of 4-(cyclopropylmethyl)-1H-pyridazin-6-one?
The InChIKey is AFOSXBZZDMIBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c11-8-4-7(5-9-10-8)3-6-1-2-6/h4-6H,1-3H2,(H,10,11).
What are the key properties of 4-(cyclopropylmethyl)-1H-pyridazin-6-one?
4-(cyclopropylmethyl)-1H-pyridazin-6-one has a molecular weight of 150.18 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 90901052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).