5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine

C12H21N3O — CID 106012460

IUPAC5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine
SMILESCc1cnnc(NCCCCOC(C)C)c1
InChIInChI=1S/C12H21N3O/c1-10(2)16-7-5-4-6-13-12-8-11(3)9-14-15-12/h8-10H,4-7H2,1-3H3,(H,13,15)
InChIKeyINMSZJZKMVCCOM-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.40
Rot. Bonds7

About 5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine

5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine (PubChem CID 106012460) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine.

Molecular Properties

Compound Name5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine
PubChem CID106012460
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine
SMILESCc1cnnc(NCCCCOC(C)C)c1
InChIInChI=1S/C12H21N3O/c1-10(2)16-7-5-4-6-13-12-8-11(3)9-14-15-12/h8-10H,4-7H2,1-3H3,(H,13,15)
InChIKeyINMSZJZKMVCCOM-UHFFFAOYSA-N
XLogP2.40
TPSA47.04 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 ≤ 52.40
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-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyridazin-3-amine
CID 126818890
5-[(5-methylpyridazin-3-yl)amino]pentan-2-ol
CID 106128597
N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine
CID 107845062
N'-(5-methylpyridazin-3-yl)pentane-1,5-diamine
CID 107323443
5-methyl-N-(3-propoxypropyl)pyridazin-3-amine
CID 106549900
N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106549356
N-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine
CID 106154444
2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine
CID 106014673
5-methyl-N-pent-4-ynylpyridazin-3-amine
CID 106222465
N,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106550243
3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide
CID 106549682
2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine
CID 106006897

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine?
The IUPAC name of 5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine (CID 106012460) is 5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine.
What is the SMILES notation for 5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine?
The canonical SMILES for 5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine is Cc1cnnc(NCCCCOC(C)C)c1.
What is the InChIKey of 5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine?
The InChIKey is INMSZJZKMVCCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)16-7-5-4-6-13-12-8-11(3)9-14-15-12/h8-10H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine?
5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine has a molecular weight of 223.32 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine is sourced from PubChem (CID 106012460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).