4-[4-[[di(propan-2-yl)amino]methyl]triazol-1-yl]phenol

C15H22N4O — CID 154781974

IUPAC4-[4-[[di(propan-2-yl)amino]methyl]triazol-1-yl]phenol
SMILESCC(C)N(Cc1cn(-c2ccc(O)cc2)nn1)C(C)C
InChIInChI=1S/C15H22N4O/c1-11(2)18(12(3)4)9-13-10-19(17-16-13)14-5-7-15(20)8-6-14/h5-8,10-12,20H,9H2,1-4H3
InChIKeyCZCUMWQQWIWDFF-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.59
Rot. Bonds5

About 4-[4-[[di(propan-2-yl)amino]methyl]triazol-1-yl]phenol

4-[4-[[di(propan-2-yl)amino]methyl]triazol-1-yl]phenol (PubChem CID 154781974) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-[4-[[di(propan-2-yl)amino]methyl]triazol-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[[di(propan-2-yl)amino]methyl]triazol-1-yl]phenol
PubChem CID154781974
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-[4-[[di(propan-2-yl)amino]methyl]triazol-1-yl]phenol
SMILESCC(C)N(Cc1cn(-c2ccc(O)cc2)nn1)C(C)C
InChIInChI=1S/C15H22N4O/c1-11(2)18(12(3)4)9-13-10-19(17-16-13)14-5-7-15(20)8-6-14/h5-8,10-12,20H,9H2,1-4H3
InChIKeyCZCUMWQQWIWDFF-UHFFFAOYSA-N
XLogP2.59
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[[di(propan-2-yl)amino]methyl]triazol-1-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[di(propan-2-yl)amino]methyl]triazol-1-yl]phenol?
The IUPAC name of 4-[4-[[di(propan-2-yl)amino]methyl]triazol-1-yl]phenol (CID 154781974) is 4-[4-[[di(propan-2-yl)amino]methyl]triazol-1-yl]phenol.
What is the SMILES notation for 4-[4-[[di(propan-2-yl)amino]methyl]triazol-1-yl]phenol?
The canonical SMILES for 4-[4-[[di(propan-2-yl)amino]methyl]triazol-1-yl]phenol is CC(C)N(Cc1cn(-c2ccc(O)cc2)nn1)C(C)C.
What is the InChIKey of 4-[4-[[di(propan-2-yl)amino]methyl]triazol-1-yl]phenol?
The InChIKey is CZCUMWQQWIWDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)18(12(3)4)9-13-10-19(17-16-13)14-5-7-15(20)8-6-14/h5-8,10-12,20H,9H2,1-4H3.
What are the key properties of 4-[4-[[di(propan-2-yl)amino]methyl]triazol-1-yl]phenol?
4-[4-[[di(propan-2-yl)amino]methyl]triazol-1-yl]phenol has a molecular weight of 274.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[di(propan-2-yl)amino]methyl]triazol-1-yl]phenol is sourced from PubChem (CID 154781974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).