4-amino-6-ethyl-2-methylpyridazin-3-one

C7H11N3O — CID 117127584

IUPAC4-amino-6-ethyl-2-methylpyridazin-3-one
SMILESCCc1cc(N)c(=O)n(C)n1
InChIInChI=1S/C7H11N3O/c1-3-5-4-6(8)7(11)10(2)9-5/h4H,3,8H2,1-2H3
InChIKeyPITIOECSMUHNDD-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.08
Rot. Bonds1

About 4-amino-6-ethyl-2-methylpyridazin-3-one

4-amino-6-ethyl-2-methylpyridazin-3-one (PubChem CID 117127584) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-amino-6-ethyl-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-6-ethyl-2-methylpyridazin-3-one
PubChem CID117127584
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name4-amino-6-ethyl-2-methylpyridazin-3-one
SMILESCCc1cc(N)c(=O)n(C)n1
InChIInChI=1S/C7H11N3O/c1-3-5-4-6(8)7(11)10(2)9-5/h4H,3,8H2,1-2H3
InChIKeyPITIOECSMUHNDD-UHFFFAOYSA-N
XLogP-0.08
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-ethyl-2-methylpyridazin-3-one?
The IUPAC name of 4-amino-6-ethyl-2-methylpyridazin-3-one (CID 117127584) is 4-amino-6-ethyl-2-methylpyridazin-3-one.
What is the SMILES notation for 4-amino-6-ethyl-2-methylpyridazin-3-one?
The canonical SMILES for 4-amino-6-ethyl-2-methylpyridazin-3-one is CCc1cc(N)c(=O)n(C)n1.
What is the InChIKey of 4-amino-6-ethyl-2-methylpyridazin-3-one?
The InChIKey is PITIOECSMUHNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-3-5-4-6(8)7(11)10(2)9-5/h4H,3,8H2,1-2H3.
What are the key properties of 4-amino-6-ethyl-2-methylpyridazin-3-one?
4-amino-6-ethyl-2-methylpyridazin-3-one has a molecular weight of 153.18 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-ethyl-2-methylpyridazin-3-one is sourced from PubChem (CID 117127584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).