[5-(diethylamino)-1-[4-(2,2-dimethylpropyl)phenyl]triazol-4-yl]methanol

C18H28N4O — CID 130376970

IUPAC[5-(diethylamino)-1-[4-(2,2-dimethylpropyl)phenyl]triazol-4-yl]methanol
SMILESCCN(CC)c1c(CO)nnn1-c1ccc(CC(C)(C)C)cc1
InChIInChI=1S/C18H28N4O/c1-6-21(7-2)17-16(13-23)19-20-22(17)15-10-8-14(9-11-15)12-18(3,4)5/h8-11,23H,6-7,12-13H2,1-5H3
InChIKeyHFSVYWXCMLXNAF-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.19
Rot. Bonds6

About [5-(diethylamino)-1-[4-(2,2-dimethylpropyl)phenyl]triazol-4-yl]methanol

[5-(diethylamino)-1-[4-(2,2-dimethylpropyl)phenyl]triazol-4-yl]methanol (PubChem CID 130376970) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is [5-(diethylamino)-1-[4-(2,2-dimethylpropyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(diethylamino)-1-[4-(2,2-dimethylpropyl)phenyl]triazol-4-yl]methanol
PubChem CID130376970
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name[5-(diethylamino)-1-[4-(2,2-dimethylpropyl)phenyl]triazol-4-yl]methanol
SMILESCCN(CC)c1c(CO)nnn1-c1ccc(CC(C)(C)C)cc1
InChIInChI=1S/C18H28N4O/c1-6-21(7-2)17-16(13-23)19-20-22(17)15-10-8-14(9-11-15)12-18(3,4)5/h8-11,23H,6-7,12-13H2,1-5H3
InChIKeyHFSVYWXCMLXNAF-UHFFFAOYSA-N
XLogP3.19
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(diethylamino)-1-[4-(2,2-dimethylpropyl)phenyl]triazol-4-yl]methanol 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 [5-(diethylamino)-1-[4-(2,2-dimethylpropyl)phenyl]triazol-4-yl]methanol?
The IUPAC name of [5-(diethylamino)-1-[4-(2,2-dimethylpropyl)phenyl]triazol-4-yl]methanol (CID 130376970) is [5-(diethylamino)-1-[4-(2,2-dimethylpropyl)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for [5-(diethylamino)-1-[4-(2,2-dimethylpropyl)phenyl]triazol-4-yl]methanol?
The canonical SMILES for [5-(diethylamino)-1-[4-(2,2-dimethylpropyl)phenyl]triazol-4-yl]methanol is CCN(CC)c1c(CO)nnn1-c1ccc(CC(C)(C)C)cc1.
What is the InChIKey of [5-(diethylamino)-1-[4-(2,2-dimethylpropyl)phenyl]triazol-4-yl]methanol?
The InChIKey is HFSVYWXCMLXNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-6-21(7-2)17-16(13-23)19-20-22(17)15-10-8-14(9-11-15)12-18(3,4)5/h8-11,23H,6-7,12-13H2,1-5H3.
What are the key properties of [5-(diethylamino)-1-[4-(2,2-dimethylpropyl)phenyl]triazol-4-yl]methanol?
[5-(diethylamino)-1-[4-(2,2-dimethylpropyl)phenyl]triazol-4-yl]methanol has a molecular weight of 316.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(diethylamino)-1-[4-(2,2-dimethylpropyl)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 130376970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).