ethane;N-(2-ethyl-4-methoxybutyl)-5-methylpyridazin-3-amine

C14H27N3O — CID 168929752

IUPACethane;N-(2-ethyl-4-methoxybutyl)-5-methylpyridazin-3-amine
SMILESCC.CCC(CCOC)CNc1cc(C)cnn1
InChIInChI=1S/C12H21N3O.C2H6/c1-4-11(5-6-16-3)9-13-12-7-10(2)8-14-15-12;1-2/h7-8,11H,4-6,9H2,1-3H3,(H,13,15);1-2H3
InChIKeyUDOIUUSBYIKVRB-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.29
Rot. Bonds7

About ethane;N-(2-ethyl-4-methoxybutyl)-5-methylpyridazin-3-amine

ethane;N-(2-ethyl-4-methoxybutyl)-5-methylpyridazin-3-amine (PubChem CID 168929752) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is ethane;N-(2-ethyl-4-methoxybutyl)-5-methylpyridazin-3-amine.

Molecular Properties

Compound Nameethane;N-(2-ethyl-4-methoxybutyl)-5-methylpyridazin-3-amine
PubChem CID168929752
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Nameethane;N-(2-ethyl-4-methoxybutyl)-5-methylpyridazin-3-amine
SMILESCC.CCC(CCOC)CNc1cc(C)cnn1
InChIInChI=1S/C12H21N3O.C2H6/c1-4-11(5-6-16-3)9-13-12-7-10(2)8-14-15-12;1-2/h7-8,11H,4-6,9H2,1-3H3,(H,13,15);1-2H3
InChIKeyUDOIUUSBYIKVRB-UHFFFAOYSA-N
XLogP3.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;N-(2-ethyl-4-methoxybutyl)-5-methylpyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-ethyl-4-methoxybutyl)-5-methylpyridazin-3-amine?
The IUPAC name of ethane;N-(2-ethyl-4-methoxybutyl)-5-methylpyridazin-3-amine (CID 168929752) is ethane;N-(2-ethyl-4-methoxybutyl)-5-methylpyridazin-3-amine.
What is the SMILES notation for ethane;N-(2-ethyl-4-methoxybutyl)-5-methylpyridazin-3-amine?
The canonical SMILES for ethane;N-(2-ethyl-4-methoxybutyl)-5-methylpyridazin-3-amine is CC.CCC(CCOC)CNc1cc(C)cnn1.
What is the InChIKey of ethane;N-(2-ethyl-4-methoxybutyl)-5-methylpyridazin-3-amine?
The InChIKey is UDOIUUSBYIKVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O.C2H6/c1-4-11(5-6-16-3)9-13-12-7-10(2)8-14-15-12;1-2/h7-8,11H,4-6,9H2,1-3H3,(H,13,15);1-2H3.
What are the key properties of ethane;N-(2-ethyl-4-methoxybutyl)-5-methylpyridazin-3-amine?
ethane;N-(2-ethyl-4-methoxybutyl)-5-methylpyridazin-3-amine has a molecular weight of 253.39 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-ethyl-4-methoxybutyl)-5-methylpyridazin-3-amine is sourced from PubChem (CID 168929752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).