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

C8H11N3O — CID 114391872

IUPAC4-(cyclopropylmethylamino)-1H-pyridazin-6-one
SMILESO=c1cc(NCC2CC2)cn[nH]1
InChIInChI=1S/C8H11N3O/c12-8-3-7(5-10-11-8)9-4-6-1-2-6/h3,5-6H,1-2,4H2,(H2,9,11,12)
InChIKeyJUXSIGHEPVUXTE-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.59
Rot. Bonds3

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

4-(cyclopropylmethylamino)-1H-pyridazin-6-one (PubChem CID 114391872) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-(cyclopropylmethylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(cyclopropylmethylamino)-1H-pyridazin-6-one
PubChem CID114391872
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4-(cyclopropylmethylamino)-1H-pyridazin-6-one
SMILESO=c1cc(NCC2CC2)cn[nH]1
InChIInChI=1S/C8H11N3O/c12-8-3-7(5-10-11-8)9-4-6-1-2-6/h3,5-6H,1-2,4H2,(H2,9,11,12)
InChIKeyJUXSIGHEPVUXTE-UHFFFAOYSA-N
XLogP0.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethylamino)-1H-pyridazin-6-one?
The IUPAC name of 4-(cyclopropylmethylamino)-1H-pyridazin-6-one (CID 114391872) is 4-(cyclopropylmethylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(cyclopropylmethylamino)-1H-pyridazin-6-one?
The canonical SMILES for 4-(cyclopropylmethylamino)-1H-pyridazin-6-one is O=c1cc(NCC2CC2)cn[nH]1.
What is the InChIKey of 4-(cyclopropylmethylamino)-1H-pyridazin-6-one?
The InChIKey is JUXSIGHEPVUXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c12-8-3-7(5-10-11-8)9-4-6-1-2-6/h3,5-6H,1-2,4H2,(H2,9,11,12).
What are the key properties of 4-(cyclopropylmethylamino)-1H-pyridazin-6-one?
4-(cyclopropylmethylamino)-1H-pyridazin-6-one has a molecular weight of 165.20 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 114391872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).