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

C17H24N4O — CID 6410663

IUPAC2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol
SMILESCCN(CCO)CCNc1nnc(-c2ccccc2)cc1C
InChIInChI=1S/C17H24N4O/c1-3-21(11-12-22)10-9-18-17-14(2)13-16(19-20-17)15-7-5-4-6-8-15/h4-8,13,22H,3,9-12H2,1-2H3,(H,18,20)
InChIKeyJTOKITVRMPZYCP-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.18
Rot. Bonds8

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

2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol (PubChem CID 6410663) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol
PubChem CID6410663
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol
SMILESCCN(CCO)CCNc1nnc(-c2ccccc2)cc1C
InChIInChI=1S/C17H24N4O/c1-3-21(11-12-22)10-9-18-17-14(2)13-16(19-20-17)15-7-5-4-6-8-15/h4-8,13,22H,3,9-12H2,1-2H3,(H,18,20)
InChIKeyJTOKITVRMPZYCP-UHFFFAOYSA-N
XLogP2.18
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol (CID 6410663) is 2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol is CCN(CCO)CCNc1nnc(-c2ccccc2)cc1C.
What is the InChIKey of 2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol?
The InChIKey is JTOKITVRMPZYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-21(11-12-22)10-9-18-17-14(2)13-16(19-20-17)15-7-5-4-6-8-15/h4-8,13,22H,3,9-12H2,1-2H3,(H,18,20).
What are the key properties of 2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol?
2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol has a molecular weight of 300.41 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol is sourced from PubChem (CID 6410663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).