2-methyl-1-(3-phenyltriazol-4-yl)-2-pyrrolidin-1-ylpropan-1-ol

C16H22N4O — CID 114686563

IUPAC2-methyl-1-(3-phenyltriazol-4-yl)-2-pyrrolidin-1-ylpropan-1-ol
SMILESCC(C)(C(O)c1cnnn1-c1ccccc1)N1CCCC1
InChIInChI=1S/C16H22N4O/c1-16(2,19-10-6-7-11-19)15(21)14-12-17-18-20(14)13-8-4-3-5-9-13/h3-5,8-9,12,15,21H,6-7,10-11H2,1-2H3
InChIKeyUKPYXUCHRPXTFI-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.18
Rot. Bonds4

About 2-methyl-1-(3-phenyltriazol-4-yl)-2-pyrrolidin-1-ylpropan-1-ol

2-methyl-1-(3-phenyltriazol-4-yl)-2-pyrrolidin-1-ylpropan-1-ol (PubChem CID 114686563) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-methyl-1-(3-phenyltriazol-4-yl)-2-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(3-phenyltriazol-4-yl)-2-pyrrolidin-1-ylpropan-1-ol
PubChem CID114686563
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-methyl-1-(3-phenyltriazol-4-yl)-2-pyrrolidin-1-ylpropan-1-ol
SMILESCC(C)(C(O)c1cnnn1-c1ccccc1)N1CCCC1
InChIInChI=1S/C16H22N4O/c1-16(2,19-10-6-7-11-19)15(21)14-12-17-18-20(14)13-8-4-3-5-9-13/h3-5,8-9,12,15,21H,6-7,10-11H2,1-2H3
InChIKeyUKPYXUCHRPXTFI-UHFFFAOYSA-N
XLogP2.18
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-2-methyl-1-(3-phenyltriazol-4-yl)propan-1-ol
CID 114686558
(2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684777
(3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105128605
2-methyl-1-(3-methyltriazol-4-yl)-2-morpholin-4-ylpropan-1-ol
CID 114686567
tert-butyl 2-(3-phenyltriazol-4-yl)propanoate
CID 114690012
2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol
CID 79045471
2-methyl-1-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 114197587
1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
CID 79056113
2-methylsulfonyl-1-(3-phenyltriazol-4-yl)propan-1-ol
CID 115835918
2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686363
2-(azepan-1-yl)-2-methyl-1-pyrimidin-5-ylpropan-1-ol
CID 79051209
2-methyl-2-piperidin-1-yl-1-pyrimidin-5-ylpropan-1-ol
CID 79045835

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-phenyltriazol-4-yl)-2-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 2-methyl-1-(3-phenyltriazol-4-yl)-2-pyrrolidin-1-ylpropan-1-ol (CID 114686563) is 2-methyl-1-(3-phenyltriazol-4-yl)-2-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 2-methyl-1-(3-phenyltriazol-4-yl)-2-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 2-methyl-1-(3-phenyltriazol-4-yl)-2-pyrrolidin-1-ylpropan-1-ol is CC(C)(C(O)c1cnnn1-c1ccccc1)N1CCCC1.
What is the InChIKey of 2-methyl-1-(3-phenyltriazol-4-yl)-2-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is UKPYXUCHRPXTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,19-10-6-7-11-19)15(21)14-12-17-18-20(14)13-8-4-3-5-9-13/h3-5,8-9,12,15,21H,6-7,10-11H2,1-2H3.
What are the key properties of 2-methyl-1-(3-phenyltriazol-4-yl)-2-pyrrolidin-1-ylpropan-1-ol?
2-methyl-1-(3-phenyltriazol-4-yl)-2-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 286.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-phenyltriazol-4-yl)-2-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 114686563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).