2-[(2R)-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol

C16H22N4O — CID 97325868

IUPAC2-[(2R)-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CCCN1Cc1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H22N4O/c1-16(2,21)15-9-6-10-19(15)12-13-11-17-20(18-13)14-7-4-3-5-8-14/h3-5,7-8,11,15,21H,6,9-10,12H2,1-2H3/t15-/m1/s1
InChIKeyHUDWYYVBVUUBGR-OAHLLOKOSA-N
MW286.38 g/mol
LogP2.00
Rot. Bonds4

About 2-[(2R)-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol

2-[(2R)-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 97325868) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[(2R)-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R)-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol
PubChem CID97325868
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[(2R)-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CCCN1Cc1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H22N4O/c1-16(2,21)15-9-6-10-19(15)12-13-11-17-20(18-13)14-7-4-3-5-8-14/h3-5,7-8,11,15,21H,6,9-10,12H2,1-2H3/t15-/m1/s1
InChIKeyHUDWYYVBVUUBGR-OAHLLOKOSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-phenyltriazol-4-yl)methyl]piperidin-4-amine
CID 29009204
2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol
CID 99576883
2-[(2S)-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 97329723
1-[(2-phenyltriazol-4-yl)methyl]piperazine;hydrochloride
CID 119904272
2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol
CID 110009559
[1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119917977
(5R,6R)-6-methyl-3-[(2-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51951203
(2R)-1-[(2R)-2-methyl-4-[(2-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602266
3,4-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 75376279
1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 60957859
2-(hydroxymethyl)-2-[(2-phenyltriazol-4-yl)methylamino]propane-1,3-diol
CID 107850523
(2S,3aR,7aS)-1-[(2-phenyltriazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125148797

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R)-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol (CID 97325868) is 2-[(2R)-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R)-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R)-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol is CC(C)(O)[C@H]1CCCN1Cc1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-[(2R)-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is HUDWYYVBVUUBGR-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,21)15-9-6-10-19(15)12-13-11-17-20(18-13)14-7-4-3-5-8-14/h3-5,7-8,11,15,21H,6,9-10,12H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-[(2R)-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol?
2-[(2R)-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 286.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 97325868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).