2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanol

C15H16N4O — CID 15959248

IUPAC2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanol
SMILESCNc1ccc(C(O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C15H16N4O/c1-16-12-8-6-11(7-9-12)15(20)10-19-14-5-3-2-4-13(14)17-18-19/h2-9,15-16,20H,10H2,1H3
InChIKeyBZISPZAAVWUUHC-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.21
Rot. Bonds4

About 2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanol

2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanol (PubChem CID 15959248) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanol.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanol
PubChem CID15959248
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanol
SMILESCNc1ccc(C(O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C15H16N4O/c1-16-12-8-6-11(7-9-12)15(20)10-19-14-5-3-2-4-13(14)17-18-19/h2-9,15-16,20H,10H2,1H3
InChIKeyBZISPZAAVWUUHC-UHFFFAOYSA-N
XLogP2.21
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanol?
The IUPAC name of 2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanol (CID 15959248) is 2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanol.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanol?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanol is CNc1ccc(C(O)Cn2nnc3ccccc32)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanol?
The InChIKey is BZISPZAAVWUUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-16-12-8-6-11(7-9-12)15(20)10-19-14-5-3-2-4-13(14)17-18-19/h2-9,15-16,20H,10H2,1H3.
What are the key properties of 2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanol?
2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanol has a molecular weight of 268.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanol is sourced from PubChem (CID 15959248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).