6-methyl-2-[2-(prop-2-enylamino)ethyl]pyridazin-3-one

C10H15N3O — CID 62926362

IUPAC6-methyl-2-[2-(prop-2-enylamino)ethyl]pyridazin-3-one
SMILESC=CCNCCn1nc(C)ccc1=O
InChIInChI=1S/C10H15N3O/c1-3-6-11-7-8-13-10(14)5-4-9(2)12-13/h3-5,11H,1,6-8H2,2H3
InChIKeyZRFRFXNTPVAVIE-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.33
Rot. Bonds5

About 6-methyl-2-[2-(prop-2-enylamino)ethyl]pyridazin-3-one

6-methyl-2-[2-(prop-2-enylamino)ethyl]pyridazin-3-one (PubChem CID 62926362) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-methyl-2-[2-(prop-2-enylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-(prop-2-enylamino)ethyl]pyridazin-3-one
PubChem CID62926362
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name6-methyl-2-[2-(prop-2-enylamino)ethyl]pyridazin-3-one
SMILESC=CCNCCn1nc(C)ccc1=O
InChIInChI=1S/C10H15N3O/c1-3-6-11-7-8-13-10(14)5-4-9(2)12-13/h3-5,11H,1,6-8H2,2H3
InChIKeyZRFRFXNTPVAVIE-UHFFFAOYSA-N
XLogP0.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(prop-2-enylamino)ethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-(prop-2-enylamino)ethyl]pyridazin-3-one (CID 62926362) is 6-methyl-2-[2-(prop-2-enylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-(prop-2-enylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-(prop-2-enylamino)ethyl]pyridazin-3-one is C=CCNCCn1nc(C)ccc1=O.
What is the InChIKey of 6-methyl-2-[2-(prop-2-enylamino)ethyl]pyridazin-3-one?
The InChIKey is ZRFRFXNTPVAVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-6-11-7-8-13-10(14)5-4-9(2)12-13/h3-5,11H,1,6-8H2,2H3.
What are the key properties of 6-methyl-2-[2-(prop-2-enylamino)ethyl]pyridazin-3-one?
6-methyl-2-[2-(prop-2-enylamino)ethyl]pyridazin-3-one has a molecular weight of 193.25 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(prop-2-enylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 62926362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).