2-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethylamino]ethanol

C15H20N4O — CID 6410661

IUPAC2-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethylamino]ethanol
SMILESCc1cc(-c2ccccc2)nnc1NCCNCCO
InChIInChI=1S/C15H20N4O/c1-12-11-14(13-5-3-2-4-6-13)18-19-15(12)17-8-7-16-9-10-20/h2-6,11,16,20H,7-10H2,1H3,(H,17,19)
InChIKeyCOJQPXLVUWWFMN-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.45
Rot. Bonds7

About 2-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethylamino]ethanol

2-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethylamino]ethanol (PubChem CID 6410661) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethylamino]ethanol
PubChem CID6410661
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethylamino]ethanol
SMILESCc1cc(-c2ccccc2)nnc1NCCNCCO
InChIInChI=1S/C15H20N4O/c1-12-11-14(13-5-3-2-4-6-13)18-19-15(12)17-8-7-16-9-10-20/h2-6,11,16,20H,7-10H2,1H3,(H,17,19)
InChIKeyCOJQPXLVUWWFMN-UHFFFAOYSA-N
XLogP1.45
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethylamino]ethanol?
The IUPAC name of 2-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethylamino]ethanol (CID 6410661) is 2-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethylamino]ethanol?
The canonical SMILES for 2-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethylamino]ethanol is Cc1cc(-c2ccccc2)nnc1NCCNCCO.
What is the InChIKey of 2-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethylamino]ethanol?
The InChIKey is COJQPXLVUWWFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12-11-14(13-5-3-2-4-6-13)18-19-15(12)17-8-7-16-9-10-20/h2-6,11,16,20H,7-10H2,1H3,(H,17,19).
What are the key properties of 2-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethylamino]ethanol?
2-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethylamino]ethanol has a molecular weight of 272.35 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethylamino]ethanol is sourced from PubChem (CID 6410661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).