6-methoxy-2-[2-(prop-2-ynylamino)ethyl]pyridazin-3-one

C10H13N3O2 — CID 105062194

IUPAC6-methoxy-2-[2-(prop-2-ynylamino)ethyl]pyridazin-3-one
SMILESC#CCNCCn1nc(OC)ccc1=O
InChIInChI=1S/C10H13N3O2/c1-3-6-11-7-8-13-10(14)5-4-9(12-13)15-2/h1,4-5,11H,6-8H2,2H3
InChIKeyTYIWHCNJUBFRST-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.53
Rot. Bonds5

About 6-methoxy-2-[2-(prop-2-ynylamino)ethyl]pyridazin-3-one

6-methoxy-2-[2-(prop-2-ynylamino)ethyl]pyridazin-3-one (PubChem CID 105062194) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-methoxy-2-[2-(prop-2-ynylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-[2-(prop-2-ynylamino)ethyl]pyridazin-3-one
PubChem CID105062194
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name6-methoxy-2-[2-(prop-2-ynylamino)ethyl]pyridazin-3-one
SMILESC#CCNCCn1nc(OC)ccc1=O
InChIInChI=1S/C10H13N3O2/c1-3-6-11-7-8-13-10(14)5-4-9(12-13)15-2/h1,4-5,11H,6-8H2,2H3
InChIKeyTYIWHCNJUBFRST-UHFFFAOYSA-N
XLogP-0.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Prop-2-ynoxy-2-prop-2-ynylpyridazin-3-one
CID 11469520
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one
CID 105061442
6-Methoxy-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 113675831
2-(1-Amino-2-methylpropan-2-yl)-6-methoxypyridazin-3-one
CID 105061447
2-(2-Aminoethyl)-6-methoxypyridazin-3-one
CID 105061489
2-(4-Aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
2-(3-Aminopropyl)-6-methoxypyridazin-3-one
CID 105061504
2-(3-Amino-2-methylpropyl)-6-methoxypyridazin-3-one
CID 105061509
2-[2-(Ethylamino)ethyl]-6-methoxypyridazin-3-one
CID 105061618
2-[2-(Ethylamino)propyl]-6-methoxypyridazin-3-one
CID 105061619
6-Methoxy-2-[2-(propylamino)propyl]pyridazin-3-one
CID 105061620
6-Methoxy-2-[2-(propylamino)ethyl]pyridazin-3-one
CID 105061621

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[2-(prop-2-ynylamino)ethyl]pyridazin-3-one?
The IUPAC name of 6-methoxy-2-[2-(prop-2-ynylamino)ethyl]pyridazin-3-one (CID 105062194) is 6-methoxy-2-[2-(prop-2-ynylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-[2-(prop-2-ynylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-[2-(prop-2-ynylamino)ethyl]pyridazin-3-one is C#CCNCCn1nc(OC)ccc1=O.
What is the InChIKey of 6-methoxy-2-[2-(prop-2-ynylamino)ethyl]pyridazin-3-one?
The InChIKey is TYIWHCNJUBFRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-3-6-11-7-8-13-10(14)5-4-9(12-13)15-2/h1,4-5,11H,6-8H2,2H3.
What are the key properties of 6-methoxy-2-[2-(prop-2-ynylamino)ethyl]pyridazin-3-one?
6-methoxy-2-[2-(prop-2-ynylamino)ethyl]pyridazin-3-one has a molecular weight of 207.23 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[2-(prop-2-ynylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 105062194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).