2-(dimethylamino)-2-methyl-1-(3-phenyltriazol-4-yl)propan-1-ol

C14H20N4O — CID 114686558

IUPAC2-(dimethylamino)-2-methyl-1-(3-phenyltriazol-4-yl)propan-1-ol
SMILESCN(C)C(C)(C)C(O)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H20N4O/c1-14(2,17(3)4)13(19)12-10-15-16-18(12)11-8-6-5-7-9-11/h5-10,13,19H,1-4H3
InChIKeyZNDOLLHBWHHXAT-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.64
Rot. Bonds4

About 2-(dimethylamino)-2-methyl-1-(3-phenyltriazol-4-yl)propan-1-ol

2-(dimethylamino)-2-methyl-1-(3-phenyltriazol-4-yl)propan-1-ol (PubChem CID 114686558) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methyl-1-(3-phenyltriazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-(dimethylamino)-2-methyl-1-(3-phenyltriazol-4-yl)propan-1-ol
PubChem CID114686558
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-(dimethylamino)-2-methyl-1-(3-phenyltriazol-4-yl)propan-1-ol
SMILESCN(C)C(C)(C)C(O)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H20N4O/c1-14(2,17(3)4)13(19)12-10-15-16-18(12)11-8-6-5-7-9-11/h5-10,13,19H,1-4H3
InChIKeyZNDOLLHBWHHXAT-UHFFFAOYSA-N
XLogP1.64
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine
CID 114688285
2-(dimethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-ol
CID 107330353
2-methyl-1-(3-phenyltriazol-4-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 114686563
tert-butyl 2-(3-phenyltriazol-4-yl)propanoate
CID 114690012
2-(3-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686365
(2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684777
(3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105128605
2-methylsulfonyl-1-(3-phenyltriazol-4-yl)propan-1-ol
CID 115835918
2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686363
1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol
CID 114686391
2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 105043304
N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687752

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-methyl-1-(3-phenyltriazol-4-yl)propan-1-ol?
The IUPAC name of 2-(dimethylamino)-2-methyl-1-(3-phenyltriazol-4-yl)propan-1-ol (CID 114686558) is 2-(dimethylamino)-2-methyl-1-(3-phenyltriazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-(dimethylamino)-2-methyl-1-(3-phenyltriazol-4-yl)propan-1-ol?
The canonical SMILES for 2-(dimethylamino)-2-methyl-1-(3-phenyltriazol-4-yl)propan-1-ol is CN(C)C(C)(C)C(O)c1cnnn1-c1ccccc1.
What is the InChIKey of 2-(dimethylamino)-2-methyl-1-(3-phenyltriazol-4-yl)propan-1-ol?
The InChIKey is ZNDOLLHBWHHXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-14(2,17(3)4)13(19)12-10-15-16-18(12)11-8-6-5-7-9-11/h5-10,13,19H,1-4H3.
What are the key properties of 2-(dimethylamino)-2-methyl-1-(3-phenyltriazol-4-yl)propan-1-ol?
2-(dimethylamino)-2-methyl-1-(3-phenyltriazol-4-yl)propan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methyl-1-(3-phenyltriazol-4-yl)propan-1-ol is sourced from PubChem (CID 114686558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).