5-(methylamino)-2-propylpyridazin-3-one

C8H13N3O — CID 103218487

IUPAC5-(methylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC)cc1=O
InChIInChI=1S/C8H13N3O/c1-3-4-11-8(12)5-7(9-2)6-10-11/h5-6,9H,3-4H2,1-2H3
InChIKeyKAHROPOXASXJRI-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.69
Rot. Bonds3

About 5-(methylamino)-2-propylpyridazin-3-one

5-(methylamino)-2-propylpyridazin-3-one (PubChem CID 103218487) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-(methylamino)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-(methylamino)-2-propylpyridazin-3-one
PubChem CID103218487
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-(methylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC)cc1=O
InChIInChI=1S/C8H13N3O/c1-3-4-11-8(12)5-7(9-2)6-10-11/h5-6,9H,3-4H2,1-2H3
InChIKeyKAHROPOXASXJRI-UHFFFAOYSA-N
XLogP0.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-2-methyl-2,3-dihydropyridazin-3-one
CID 10558626
5-(Methylamino)-2,3-dihydropyridazin-3-one
CID 21691755
4-[methyl(propylamino)amino]-1H-pyridazin-6-one
CID 134895673
5-(Methylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103218742
2-[6-oxo-4-(propylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103220293
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-(dimethylamino)pyridazin-3-one
CID 103366653
4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyridazin-6-one
CID 105936161
5-(Dimethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397459
5-[Ethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397615
5-(Diethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397680
5-[Methyl(propyl)amino]-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397731
4-(2-fluoroethylamino)-1H-pyridazin-6-one
CID 133666828

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-propylpyridazin-3-one?
The IUPAC name of 5-(methylamino)-2-propylpyridazin-3-one (CID 103218487) is 5-(methylamino)-2-propylpyridazin-3-one.
What is the SMILES notation for 5-(methylamino)-2-propylpyridazin-3-one?
The canonical SMILES for 5-(methylamino)-2-propylpyridazin-3-one is CCCn1ncc(NC)cc1=O.
What is the InChIKey of 5-(methylamino)-2-propylpyridazin-3-one?
The InChIKey is KAHROPOXASXJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-4-11-8(12)5-7(9-2)6-10-11/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 5-(methylamino)-2-propylpyridazin-3-one?
5-(methylamino)-2-propylpyridazin-3-one has a molecular weight of 167.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-propylpyridazin-3-one is sourced from PubChem (CID 103218487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).