5-(2-aminoethylamino)-2-pent-3-ynylpyridazin-3-one

C11H16N4O — CID 103221005

IUPAC5-(2-aminoethylamino)-2-pent-3-ynylpyridazin-3-one
SMILESCC#CCCn1ncc(NCCN)cc1=O
InChIInChI=1S/C11H16N4O/c1-2-3-4-7-15-11(16)8-10(9-14-15)13-6-5-12/h8-9,13H,4-7,12H2,1H3
InChIKeyONEBBVFVPXEEEN-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.03
Rot. Bonds5

About 5-(2-aminoethylamino)-2-pent-3-ynylpyridazin-3-one

5-(2-aminoethylamino)-2-pent-3-ynylpyridazin-3-one (PubChem CID 103221005) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-2-pent-3-ynylpyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-2-pent-3-ynylpyridazin-3-one
PubChem CID103221005
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-(2-aminoethylamino)-2-pent-3-ynylpyridazin-3-one
SMILESCC#CCCn1ncc(NCCN)cc1=O
InChIInChI=1S/C11H16N4O/c1-2-3-4-7-15-11(16)8-10(9-14-15)13-6-5-12/h8-9,13H,4-7,12H2,1H3
InChIKeyONEBBVFVPXEEEN-UHFFFAOYSA-N
XLogP0.03
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-2-pent-3-ynylpyridazin-3-one?
The IUPAC name of 5-(2-aminoethylamino)-2-pent-3-ynylpyridazin-3-one (CID 103221005) is 5-(2-aminoethylamino)-2-pent-3-ynylpyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethylamino)-2-pent-3-ynylpyridazin-3-one?
The canonical SMILES for 5-(2-aminoethylamino)-2-pent-3-ynylpyridazin-3-one is CC#CCCn1ncc(NCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethylamino)-2-pent-3-ynylpyridazin-3-one?
The InChIKey is ONEBBVFVPXEEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-2-3-4-7-15-11(16)8-10(9-14-15)13-6-5-12/h8-9,13H,4-7,12H2,1H3.
What are the key properties of 5-(2-aminoethylamino)-2-pent-3-ynylpyridazin-3-one?
5-(2-aminoethylamino)-2-pent-3-ynylpyridazin-3-one has a molecular weight of 220.28 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-2-pent-3-ynylpyridazin-3-one is sourced from PubChem (CID 103221005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).