2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-methylpyridazin-3-one

C12H19N3O — CID 106548524

IUPAC2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-methylpyridazin-3-one
SMILESCCNC(Cn1ncc(C)cc1=O)C1CC1
InChIInChI=1S/C12H19N3O/c1-3-13-11(10-4-5-10)8-15-12(16)6-9(2)7-14-15/h6-7,10-11,13H,3-5,8H2,1-2H3
InChIKeyIXQATUSMQNKVJD-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.94
Rot. Bonds5

About 2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-methylpyridazin-3-one

2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-methylpyridazin-3-one (PubChem CID 106548524) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-methylpyridazin-3-one
PubChem CID106548524
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-methylpyridazin-3-one
SMILESCCNC(Cn1ncc(C)cc1=O)C1CC1
InChIInChI=1S/C12H19N3O/c1-3-13-11(10-4-5-10)8-15-12(16)6-9(2)7-14-15/h6-7,10-11,13H,3-5,8H2,1-2H3
InChIKeyIXQATUSMQNKVJD-UHFFFAOYSA-N
XLogP0.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-methylpyridazin-3-one (CID 106548524) is 2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-methylpyridazin-3-one is CCNC(Cn1ncc(C)cc1=O)C1CC1.
What is the InChIKey of 2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-methylpyridazin-3-one?
The InChIKey is IXQATUSMQNKVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-13-11(10-4-5-10)8-15-12(16)6-9(2)7-14-15/h6-7,10-11,13H,3-5,8H2,1-2H3.
What are the key properties of 2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-methylpyridazin-3-one?
2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-methylpyridazin-3-one has a molecular weight of 221.30 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).