2-[(2S)-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol

C17H24N4O — CID 97329723

IUPAC2-[(2S)-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol
SMILESCn1c(CN2CCC[C@H]2C(C)(C)O)nnc1-c1ccccc1
InChIInChI=1S/C17H24N4O/c1-17(2,22)14-10-7-11-21(14)12-15-18-19-16(20(15)3)13-8-5-4-6-9-13/h4-6,8-9,14,22H,7,10-12H2,1-3H3/t14-/m0/s1
InChIKeyOQWJVKUQOCSYTH-AWEZNQCLSA-N
MW300.41 g/mol
LogP2.22
Rot. Bonds4

About 2-[(2S)-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol

2-[(2S)-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 97329723) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[(2S)-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S)-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol
PubChem CID97329723
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[(2S)-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol
SMILESCn1c(CN2CCC[C@H]2C(C)(C)O)nnc1-c1ccccc1
InChIInChI=1S/C17H24N4O/c1-17(2,22)14-10-7-11-21(14)12-15-18-19-16(20(15)3)13-8-5-4-6-9-13/h4-6,8-9,14,22H,7,10-12H2,1-3H3/t14-/m0/s1
InChIKeyOQWJVKUQOCSYTH-AWEZNQCLSA-N
XLogP2.22
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol with MolForge

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Related Compounds

1-methyl-2-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
CID 127975036
2-[(2R)-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 97325868
2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol
CID 110009559
2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol
CID 99576883
1-[ethyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]-2-methylpropan-2-ol
CID 111334174
(3R)-N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 146134701
tert-butyl 3-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 75478447
1-[[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]piperidin-4-amine
CID 167878660
N,N-dimethyl-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-5-azaspiro[3.4]octan-7-amine
CID 167883862
2-benzyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 126784932
2-[(2S)-1-benzylpyrrolidin-2-yl]-3-ethoxybut-3-en-2-ol
CID 15720197
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanone
CID 71845950

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2S)-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol (CID 97329723) is 2-[(2S)-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S)-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2S)-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol is Cn1c(CN2CCC[C@H]2C(C)(C)O)nnc1-c1ccccc1.
What is the InChIKey of 2-[(2S)-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is OQWJVKUQOCSYTH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O/c1-17(2,22)14-10-7-11-21(14)12-15-18-19-16(20(15)3)13-8-5-4-6-9-13/h4-6,8-9,14,22H,7,10-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-[(2S)-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol?
2-[(2S)-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 300.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 97329723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).