4-[(1S)-1-[(6-ethenylpyridazin-3-yl)amino]ethyl]phenol

C14H15N3O — CID 145074828

IUPAC4-[(1S)-1-[(6-ethenylpyridazin-3-yl)amino]ethyl]phenol
SMILESC=Cc1ccc(N[C@@H](C)c2ccc(O)cc2)nn1
InChIInChI=1S/C14H15N3O/c1-3-12-6-9-14(17-16-12)15-10(2)11-4-7-13(18)8-5-11/h3-10,18H,1H2,2H3,(H,15,17)/t10-/m0/s1
InChIKeyGWGVUDOWUHVBCT-JTQLQIEISA-N
MW241.29 g/mol
LogP3.00
Rot. Bonds4

About 4-[(1S)-1-[(6-ethenylpyridazin-3-yl)amino]ethyl]phenol

4-[(1S)-1-[(6-ethenylpyridazin-3-yl)amino]ethyl]phenol (PubChem CID 145074828) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[(1S)-1-[(6-ethenylpyridazin-3-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[(1S)-1-[(6-ethenylpyridazin-3-yl)amino]ethyl]phenol
PubChem CID145074828
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-[(1S)-1-[(6-ethenylpyridazin-3-yl)amino]ethyl]phenol
SMILESC=Cc1ccc(N[C@@H](C)c2ccc(O)cc2)nn1
InChIInChI=1S/C14H15N3O/c1-3-12-6-9-14(17-16-12)15-10(2)11-4-7-13(18)8-5-11/h3-10,18H,1H2,2H3,(H,15,17)/t10-/m0/s1
InChIKeyGWGVUDOWUHVBCT-JTQLQIEISA-N
XLogP3.00
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[(6-ethenylpyridazin-3-yl)amino]ethyl]phenol?
The IUPAC name of 4-[(1S)-1-[(6-ethenylpyridazin-3-yl)amino]ethyl]phenol (CID 145074828) is 4-[(1S)-1-[(6-ethenylpyridazin-3-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[(1S)-1-[(6-ethenylpyridazin-3-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[(1S)-1-[(6-ethenylpyridazin-3-yl)amino]ethyl]phenol is C=Cc1ccc(N[C@@H](C)c2ccc(O)cc2)nn1.
What is the InChIKey of 4-[(1S)-1-[(6-ethenylpyridazin-3-yl)amino]ethyl]phenol?
The InChIKey is GWGVUDOWUHVBCT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15N3O/c1-3-12-6-9-14(17-16-12)15-10(2)11-4-7-13(18)8-5-11/h3-10,18H,1H2,2H3,(H,15,17)/t10-/m0/s1.
What are the key properties of 4-[(1S)-1-[(6-ethenylpyridazin-3-yl)amino]ethyl]phenol?
4-[(1S)-1-[(6-ethenylpyridazin-3-yl)amino]ethyl]phenol has a molecular weight of 241.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[(6-ethenylpyridazin-3-yl)amino]ethyl]phenol is sourced from PubChem (CID 145074828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).