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

C8H11N3O — CID 117127599

IUPAC4-amino-6-cyclopropyl-2-methylpyridazin-3-one
SMILESCn1nc(C2CC2)cc(N)c1=O
InChIInChI=1S/C8H11N3O/c1-11-8(12)6(9)4-7(10-11)5-2-3-5/h4-5H,2-3,9H2,1H3
InChIKeyTWSZKYAVGXNJBP-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.24
Rot. Bonds1

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

4-amino-6-cyclopropyl-2-methylpyridazin-3-one (PubChem CID 117127599) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-amino-6-cyclopropyl-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-6-cyclopropyl-2-methylpyridazin-3-one
PubChem CID117127599
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4-amino-6-cyclopropyl-2-methylpyridazin-3-one
SMILESCn1nc(C2CC2)cc(N)c1=O
InChIInChI=1S/C8H11N3O/c1-11-8(12)6(9)4-7(10-11)5-2-3-5/h4-5H,2-3,9H2,1H3
InChIKeyTWSZKYAVGXNJBP-UHFFFAOYSA-N
XLogP0.24
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-cyclopropyl-2-methylpyridazin-3-one?
The IUPAC name of 4-amino-6-cyclopropyl-2-methylpyridazin-3-one (CID 117127599) is 4-amino-6-cyclopropyl-2-methylpyridazin-3-one.
What is the SMILES notation for 4-amino-6-cyclopropyl-2-methylpyridazin-3-one?
The canonical SMILES for 4-amino-6-cyclopropyl-2-methylpyridazin-3-one is Cn1nc(C2CC2)cc(N)c1=O.
What is the InChIKey of 4-amino-6-cyclopropyl-2-methylpyridazin-3-one?
The InChIKey is TWSZKYAVGXNJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-11-8(12)6(9)4-7(10-11)5-2-3-5/h4-5H,2-3,9H2,1H3.
What are the key properties of 4-amino-6-cyclopropyl-2-methylpyridazin-3-one?
4-amino-6-cyclopropyl-2-methylpyridazin-3-one has a molecular weight of 165.20 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-cyclopropyl-2-methylpyridazin-3-one is sourced from PubChem (CID 117127599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).