2-(2-aminoethyl)-6-cyclopropylpyridazin-3-one

C9H13N3O — CID 84657004

IUPAC2-(2-aminoethyl)-6-cyclopropylpyridazin-3-one
SMILESNCCn1nc(C2CC2)ccc1=O
InChIInChI=1S/C9H13N3O/c10-5-6-12-9(13)4-3-8(11-12)7-1-2-7/h3-4,7H,1-2,5-6,10H2
InChIKeySADAIPCZVMVQJB-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.08
Rot. Bonds3

About 2-(2-aminoethyl)-6-cyclopropylpyridazin-3-one

2-(2-aminoethyl)-6-cyclopropylpyridazin-3-one (PubChem CID 84657004) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-cyclopropylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-cyclopropylpyridazin-3-one
PubChem CID84657004
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(2-aminoethyl)-6-cyclopropylpyridazin-3-one
SMILESNCCn1nc(C2CC2)ccc1=O
InChIInChI=1S/C9H13N3O/c10-5-6-12-9(13)4-3-8(11-12)7-1-2-7/h3-4,7H,1-2,5-6,10H2
InChIKeySADAIPCZVMVQJB-UHFFFAOYSA-N
XLogP0.08
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-cyclopropylpyridazin-3-one?
The IUPAC name of 2-(2-aminoethyl)-6-cyclopropylpyridazin-3-one (CID 84657004) is 2-(2-aminoethyl)-6-cyclopropylpyridazin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-6-cyclopropylpyridazin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-6-cyclopropylpyridazin-3-one is NCCn1nc(C2CC2)ccc1=O.
What is the InChIKey of 2-(2-aminoethyl)-6-cyclopropylpyridazin-3-one?
The InChIKey is SADAIPCZVMVQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-5-6-12-9(13)4-3-8(11-12)7-1-2-7/h3-4,7H,1-2,5-6,10H2.
What are the key properties of 2-(2-aminoethyl)-6-cyclopropylpyridazin-3-one?
2-(2-aminoethyl)-6-cyclopropylpyridazin-3-one has a molecular weight of 179.22 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-cyclopropylpyridazin-3-one is sourced from PubChem (CID 84657004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).