4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one

C9H15N3O — CID 82442775

IUPAC4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one
SMILESCCn1nc(C)cc(C(C)N)c1=O
InChIInChI=1S/C9H15N3O/c1-4-12-9(13)8(7(3)10)5-6(2)11-12/h5,7H,4,10H2,1-3H3
InChIKeyUWHFEUJMOGKCQR-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.59
Rot. Bonds2

About 4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one

4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one (PubChem CID 82442775) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one.

Molecular Properties

Compound Name4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one
PubChem CID82442775
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one
SMILESCCn1nc(C)cc(C(C)N)c1=O
InChIInChI=1S/C9H15N3O/c1-4-12-9(13)8(7(3)10)5-6(2)11-12/h5,7H,4,10H2,1-3H3
InChIKeyUWHFEUJMOGKCQR-UHFFFAOYSA-N
XLogP0.59
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one?
The IUPAC name of 4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one (CID 82442775) is 4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one.
What is the SMILES notation for 4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one?
The canonical SMILES for 4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one is CCn1nc(C)cc(C(C)N)c1=O.
What is the InChIKey of 4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one?
The InChIKey is UWHFEUJMOGKCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-12-9(13)8(7(3)10)5-6(2)11-12/h5,7H,4,10H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one?
4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one has a molecular weight of 181.24 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one is sourced from PubChem (CID 82442775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).