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

C17H26Cl2N4O — CID 6410662

IUPAC2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol;dihydrochloride
SMILESCCN(CCO)CCNc1nnc(-c2ccccc2)cc1C.Cl.Cl
InChIInChI=1S/C17H24N4O.2ClH/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);2*1H
InChIKeyQEWSSWNHOOVVCT-UHFFFAOYSA-N
MW373.33 g/mol
LogP3.02
Rot. Bonds8

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

2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol;dihydrochloride (PubChem CID 6410662) has the molecular formula C17H26Cl2N4O and a molecular weight of 373.33 g/mol. Its IUPAC name is 2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol;dihydrochloride
PubChem CID6410662
Molecular FormulaC17H26Cl2N4O
Molecular Weight373.33 g/mol
Exact Mass372.15
IUPAC Name2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol;dihydrochloride
SMILESCCN(CCO)CCNc1nnc(-c2ccccc2)cc1C.Cl.Cl
InChIInChI=1S/C17H24N4O.2ClH/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);2*1H
InChIKeyQEWSSWNHOOVVCT-UHFFFAOYSA-N
XLogP3.02
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 53.02
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;dihydrochloride?
The IUPAC name of 2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol;dihydrochloride (CID 6410662) is 2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol;dihydrochloride.
What is the SMILES notation for 2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol;dihydrochloride?
The canonical SMILES for 2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol;dihydrochloride is CCN(CCO)CCNc1nnc(-c2ccccc2)cc1C.Cl.Cl.
What is the InChIKey of 2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol;dihydrochloride?
The InChIKey is QEWSSWNHOOVVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.2ClH/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);2*1H.
What are the key properties of 2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol;dihydrochloride?
2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol;dihydrochloride has a molecular weight of 373.33 g/mol, XLogP of 3.02, 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;dihydrochloride is sourced from PubChem (CID 6410662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).