5-(aminomethyl)-2-ethylpyridazin-3-one

C7H11N3O — CID 21066412

IUPAC5-(aminomethyl)-2-ethylpyridazin-3-one
SMILESCCn1ncc(CN)cc1=O
InChIInChI=1S/C7H11N3O/c1-2-10-7(11)3-6(4-8)5-9-10/h3,5H,2,4,8H2,1H3
InChIKeyQPDYTHXCWJSRIO-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.28
Rot. Bonds2

About 5-(aminomethyl)-2-ethylpyridazin-3-one

5-(aminomethyl)-2-ethylpyridazin-3-one (PubChem CID 21066412) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 5-(aminomethyl)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-ethylpyridazin-3-one
PubChem CID21066412
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name5-(aminomethyl)-2-ethylpyridazin-3-one
SMILESCCn1ncc(CN)cc1=O
InChIInChI=1S/C7H11N3O/c1-2-10-7(11)3-6(4-8)5-9-10/h3,5H,2,4,8H2,1H3
InChIKeyQPDYTHXCWJSRIO-UHFFFAOYSA-N
XLogP-0.28
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-ethylpyridazin-3-one?
The IUPAC name of 5-(aminomethyl)-2-ethylpyridazin-3-one (CID 21066412) is 5-(aminomethyl)-2-ethylpyridazin-3-one.
What is the SMILES notation for 5-(aminomethyl)-2-ethylpyridazin-3-one?
The canonical SMILES for 5-(aminomethyl)-2-ethylpyridazin-3-one is CCn1ncc(CN)cc1=O.
What is the InChIKey of 5-(aminomethyl)-2-ethylpyridazin-3-one?
The InChIKey is QPDYTHXCWJSRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-10-7(11)3-6(4-8)5-9-10/h3,5H,2,4,8H2,1H3.
What are the key properties of 5-(aminomethyl)-2-ethylpyridazin-3-one?
5-(aminomethyl)-2-ethylpyridazin-3-one has a molecular weight of 153.19 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-ethylpyridazin-3-one is sourced from PubChem (CID 21066412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).