5-methyl-N-(3-propoxypropyl)pyridazin-3-amine

C11H19N3O — CID 106549900

IUPAC5-methyl-N-(3-propoxypropyl)pyridazin-3-amine
SMILESCCCOCCCNc1cc(C)cnn1
InChIInChI=1S/C11H19N3O/c1-3-6-15-7-4-5-12-11-8-10(2)9-13-14-11/h8-9H,3-7H2,1-2H3,(H,12,14)
InChIKeyYQCWBPGCXSTQPK-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.01
Rot. Bonds7

About 5-methyl-N-(3-propoxypropyl)pyridazin-3-amine

5-methyl-N-(3-propoxypropyl)pyridazin-3-amine (PubChem CID 106549900) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-methyl-N-(3-propoxypropyl)pyridazin-3-amine.

Molecular Properties

Compound Name5-methyl-N-(3-propoxypropyl)pyridazin-3-amine
PubChem CID106549900
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-methyl-N-(3-propoxypropyl)pyridazin-3-amine
SMILESCCCOCCCNc1cc(C)cnn1
InChIInChI=1S/C11H19N3O/c1-3-6-15-7-4-5-12-11-8-10(2)9-13-14-11/h8-9H,3-7H2,1-2H3,(H,12,14)
InChIKeyYQCWBPGCXSTQPK-UHFFFAOYSA-N
XLogP2.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.01
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

4-methyl-N-(3-propoxypropyl)pyridin-2-amine
CID 82943413
N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106549356
5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine
CID 106012460
N'-(5-methylpyridazin-3-yl)pentane-1,5-diamine
CID 107323443
N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine
CID 107845062
5-methyl-N-pent-4-ynylpyridazin-3-amine
CID 106222465
5-[(5-methylpyridazin-3-yl)amino]pentan-2-ol
CID 106128597
3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide
CID 106549682
N-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine
CID 106154444
N-but-3-ynyl-5-methylpyridazin-3-amine
CID 106549778
5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine
CID 83266664
5-methyl-N-(3-methylbut-3-enyl)pyridazin-3-amine
CID 130908778

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-propoxypropyl)pyridazin-3-amine?
The IUPAC name of 5-methyl-N-(3-propoxypropyl)pyridazin-3-amine (CID 106549900) is 5-methyl-N-(3-propoxypropyl)pyridazin-3-amine.
What is the SMILES notation for 5-methyl-N-(3-propoxypropyl)pyridazin-3-amine?
The canonical SMILES for 5-methyl-N-(3-propoxypropyl)pyridazin-3-amine is CCCOCCCNc1cc(C)cnn1.
What is the InChIKey of 5-methyl-N-(3-propoxypropyl)pyridazin-3-amine?
The InChIKey is YQCWBPGCXSTQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-6-15-7-4-5-12-11-8-10(2)9-13-14-11/h8-9H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 5-methyl-N-(3-propoxypropyl)pyridazin-3-amine?
5-methyl-N-(3-propoxypropyl)pyridazin-3-amine has a molecular weight of 209.29 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-propoxypropyl)pyridazin-3-amine is sourced from PubChem (CID 106549900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).