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

C7H11N3O — CID 13103485

IUPAC2-(2-aminoethyl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCN)n1
InChIInChI=1S/C7H11N3O/c1-6-2-3-7(11)10(9-6)5-4-8/h2-3H,4-5,8H2,1H3
InChIKeyCOWPKEBMVDXJMB-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.49
Rot. Bonds2

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

2-(2-aminoethyl)-6-methylpyridazin-3-one (PubChem CID 13103485) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-methylpyridazin-3-one
PubChem CID13103485
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name2-(2-aminoethyl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCN)n1
InChIInChI=1S/C7H11N3O/c1-6-2-3-7(11)10(9-6)5-4-8/h2-3H,4-5,8H2,1H3
InChIKeyCOWPKEBMVDXJMB-UHFFFAOYSA-N
XLogP-0.49
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 ≤ 5-0.49
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-methylpyridazin-3-one?
The IUPAC name of 2-(2-aminoethyl)-6-methylpyridazin-3-one (CID 13103485) is 2-(2-aminoethyl)-6-methylpyridazin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-6-methylpyridazin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-6-methylpyridazin-3-one is Cc1ccc(=O)n(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-6-methylpyridazin-3-one?
The InChIKey is COWPKEBMVDXJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-6-2-3-7(11)10(9-6)5-4-8/h2-3H,4-5,8H2,1H3.
What are the key properties of 2-(2-aminoethyl)-6-methylpyridazin-3-one?
2-(2-aminoethyl)-6-methylpyridazin-3-one has a molecular weight of 153.19 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-methylpyridazin-3-one is sourced from PubChem (CID 13103485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).