2-heptyl-5-(methylamino)pyridazin-3-one

C12H21N3O — CID 103218448

IUPAC2-heptyl-5-(methylamino)pyridazin-3-one
SMILESCCCCCCCn1ncc(NC)cc1=O
InChIInChI=1S/C12H21N3O/c1-3-4-5-6-7-8-15-12(16)9-11(13-2)10-14-15/h9-10,13H,3-8H2,1-2H3
InChIKeyDTZFRKAMXZJFAR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.26
Rot. Bonds7

About 2-heptyl-5-(methylamino)pyridazin-3-one

2-heptyl-5-(methylamino)pyridazin-3-one (PubChem CID 103218448) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-heptyl-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-heptyl-5-(methylamino)pyridazin-3-one
PubChem CID103218448
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-heptyl-5-(methylamino)pyridazin-3-one
SMILESCCCCCCCn1ncc(NC)cc1=O
InChIInChI=1S/C12H21N3O/c1-3-4-5-6-7-8-15-12(16)9-11(13-2)10-14-15/h9-10,13H,3-8H2,1-2H3
InChIKeyDTZFRKAMXZJFAR-UHFFFAOYSA-N
XLogP2.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide
CID 110876546
N~1~-[1-(1-Ethyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]propanamide
CID 110876551
2-[(3,3-Difluorocyclohexyl)methyl]-5-(methylamino)pyridazin-3-one
CID 114226080
4-(4-methylpentylamino)-1H-pyridazin-6-one
CID 114392023
N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
5-(Ethylamino)-2-methylpyridazin-3-one
CID 10487061
2-[2-(Heptan-2-ylamino)ethyl]pyridazin-3-one
CID 55126826
2-[5-(Methylamino)hexyl]pyridazin-3-one
CID 62850670
2-[5-(Ethylamino)hexyl]pyridazin-3-one
CID 62850671
2-[5-(Propylamino)hexyl]pyridazin-3-one
CID 62850672
2-(5-Aminohexyl)pyridazin-3-one
CID 62850673
2-[4-(Methylamino)pentyl]pyridazin-3-one
CID 62850845

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-heptyl-5-(methylamino)pyridazin-3-one (CID 103218448) is 2-heptyl-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-heptyl-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-heptyl-5-(methylamino)pyridazin-3-one is CCCCCCCn1ncc(NC)cc1=O.
What is the InChIKey of 2-heptyl-5-(methylamino)pyridazin-3-one?
The InChIKey is DTZFRKAMXZJFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-4-5-6-7-8-15-12(16)9-11(13-2)10-14-15/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 2-heptyl-5-(methylamino)pyridazin-3-one?
2-heptyl-5-(methylamino)pyridazin-3-one has a molecular weight of 223.32 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 103218448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).