3-(prop-2-enylamino)-1H-pyridazin-6-one

C7H9N3O — CID 13274965

IUPAC3-(prop-2-enylamino)-1H-pyridazin-6-one
SMILESC=CCNc1ccc(=O)[nH]n1
InChIInChI=1S/C7H9N3O/c1-2-5-8-6-3-4-7(11)10-9-6/h2-4H,1,5H2,(H,8,9)(H,10,11)
InChIKeyBPCPRZXFCGCAKM-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.37
Rot. Bonds3

About 3-(prop-2-enylamino)-1H-pyridazin-6-one

3-(prop-2-enylamino)-1H-pyridazin-6-one (PubChem CID 13274965) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 3-(prop-2-enylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(prop-2-enylamino)-1H-pyridazin-6-one
PubChem CID13274965
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name3-(prop-2-enylamino)-1H-pyridazin-6-one
SMILESC=CCNc1ccc(=O)[nH]n1
InChIInChI=1S/C7H9N3O/c1-2-5-8-6-3-4-7(11)10-9-6/h2-4H,1,5H2,(H,8,9)(H,10,11)
InChIKeyBPCPRZXFCGCAKM-UHFFFAOYSA-N
XLogP0.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enylamino)-1H-pyridazin-6-one?
The IUPAC name of 3-(prop-2-enylamino)-1H-pyridazin-6-one (CID 13274965) is 3-(prop-2-enylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(prop-2-enylamino)-1H-pyridazin-6-one?
The canonical SMILES for 3-(prop-2-enylamino)-1H-pyridazin-6-one is C=CCNc1ccc(=O)[nH]n1.
What is the InChIKey of 3-(prop-2-enylamino)-1H-pyridazin-6-one?
The InChIKey is BPCPRZXFCGCAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-2-5-8-6-3-4-7(11)10-9-6/h2-4H,1,5H2,(H,8,9)(H,10,11).
What are the key properties of 3-(prop-2-enylamino)-1H-pyridazin-6-one?
3-(prop-2-enylamino)-1H-pyridazin-6-one has a molecular weight of 151.17 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 13274965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).