2-[2-(1-cyclopropylethylamino)ethyl]pyridazin-3-one

C11H17N3O — CID 62848570

IUPAC2-[2-(1-cyclopropylethylamino)ethyl]pyridazin-3-one
SMILESCC(NCCn1ncccc1=O)C1CC1
InChIInChI=1S/C11H17N3O/c1-9(10-4-5-10)12-7-8-14-11(15)3-2-6-13-14/h2-3,6,9-10,12H,4-5,7-8H2,1H3
InChIKeyNSQZVJAUOJCKOT-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.63
Rot. Bonds5

About 2-[2-(1-cyclopropylethylamino)ethyl]pyridazin-3-one

2-[2-(1-cyclopropylethylamino)ethyl]pyridazin-3-one (PubChem CID 62848570) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[2-(1-cyclopropylethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(1-cyclopropylethylamino)ethyl]pyridazin-3-one
PubChem CID62848570
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[2-(1-cyclopropylethylamino)ethyl]pyridazin-3-one
SMILESCC(NCCn1ncccc1=O)C1CC1
InChIInChI=1S/C11H17N3O/c1-9(10-4-5-10)12-7-8-14-11(15)3-2-6-13-14/h2-3,6,9-10,12H,4-5,7-8H2,1H3
InChIKeyNSQZVJAUOJCKOT-UHFFFAOYSA-N
XLogP0.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-cyclopropylethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(1-cyclopropylethylamino)ethyl]pyridazin-3-one (CID 62848570) is 2-[2-(1-cyclopropylethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(1-cyclopropylethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(1-cyclopropylethylamino)ethyl]pyridazin-3-one is CC(NCCn1ncccc1=O)C1CC1.
What is the InChIKey of 2-[2-(1-cyclopropylethylamino)ethyl]pyridazin-3-one?
The InChIKey is NSQZVJAUOJCKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9(10-4-5-10)12-7-8-14-11(15)3-2-6-13-14/h2-3,6,9-10,12H,4-5,7-8H2,1H3.
What are the key properties of 2-[2-(1-cyclopropylethylamino)ethyl]pyridazin-3-one?
2-[2-(1-cyclopropylethylamino)ethyl]pyridazin-3-one has a molecular weight of 207.28 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-cyclopropylethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 62848570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).