3-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol

C19H22N4O2 — CID 16736236

IUPAC3-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol
SMILESCN(C)c1ccc(-c2cn(-c3ccc(OCCCO)cc3)nn2)cc1
InChIInChI=1S/C19H22N4O2/c1-22(2)16-6-4-15(5-7-16)19-14-23(21-20-19)17-8-10-18(11-9-17)25-13-3-12-24/h4-11,14,24H,3,12-13H2,1-2H3
InChIKeyQVDMWLSJFOGEIC-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.76
Rot. Bonds7

About 3-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol

3-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol (PubChem CID 16736236) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol
PubChem CID16736236
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol
SMILESCN(C)c1ccc(-c2cn(-c3ccc(OCCCO)cc3)nn2)cc1
InChIInChI=1S/C19H22N4O2/c1-22(2)16-6-4-15(5-7-16)19-14-23(21-20-19)17-8-10-18(11-9-17)25-13-3-12-24/h4-11,14,24H,3,12-13H2,1-2H3
InChIKeyQVDMWLSJFOGEIC-UHFFFAOYSA-N
XLogP2.76
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 3-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol?
The IUPAC name of 3-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol (CID 16736236) is 3-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol.
What is the SMILES notation for 3-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol?
The canonical SMILES for 3-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol is CN(C)c1ccc(-c2cn(-c3ccc(OCCCO)cc3)nn2)cc1.
What is the InChIKey of 3-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol?
The InChIKey is QVDMWLSJFOGEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22(2)16-6-4-15(5-7-16)19-14-23(21-20-19)17-8-10-18(11-9-17)25-13-3-12-24/h4-11,14,24H,3,12-13H2,1-2H3.
What are the key properties of 3-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol?
3-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol has a molecular weight of 338.41 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol is sourced from PubChem (CID 16736236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).