(2S)-1-[(5-methyl-2-phenyltriazol-4-yl)methylamino]propan-2-ol

C13H18N4O — CID 153475640

IUPAC(2S)-1-[(5-methyl-2-phenyltriazol-4-yl)methylamino]propan-2-ol
SMILESCc1nn(-c2ccccc2)nc1CNC[C@H](C)O
InChIInChI=1S/C13H18N4O/c1-10(18)8-14-9-13-11(2)15-17(16-13)12-6-4-3-5-7-12/h3-7,10,14,18H,8-9H2,1-2H3/t10-/m0/s1
InChIKeyPUYSLCNSKYFZOI-JTQLQIEISA-N
MW246.31 g/mol
LogP1.05
Rot. Bonds5

About (2S)-1-[(5-methyl-2-phenyltriazol-4-yl)methylamino]propan-2-ol

(2S)-1-[(5-methyl-2-phenyltriazol-4-yl)methylamino]propan-2-ol (PubChem CID 153475640) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (2S)-1-[(5-methyl-2-phenyltriazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(5-methyl-2-phenyltriazol-4-yl)methylamino]propan-2-ol
PubChem CID153475640
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(2S)-1-[(5-methyl-2-phenyltriazol-4-yl)methylamino]propan-2-ol
SMILESCc1nn(-c2ccccc2)nc1CNC[C@H](C)O
InChIInChI=1S/C13H18N4O/c1-10(18)8-14-9-13-11(2)15-17(16-13)12-6-4-3-5-7-12/h3-7,10,14,18H,8-9H2,1-2H3/t10-/m0/s1
InChIKeyPUYSLCNSKYFZOI-JTQLQIEISA-N
XLogP1.05
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[(5-methyl-2-phenyltriazol-4-yl)methylamino]propan-2-ol with MolForge

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Related Compounds

2-methoxy-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide
CID 2738923
(2S)-1-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol
CID 51684306
2-[(3S)-3-[(2-phenyltriazol-4-yl)methylamino]piperidin-1-yl]ethanol
CID 171359591
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2-fluoro-N-methylanilino)propan-2-ol
CID 63944480
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(3-fluoro-N-methylanilino)propan-2-ol
CID 63944673
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-fluoro-N-methylanilino)propan-2-ol
CID 63947469
2-(2,2-difluoroethoxy)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine
CID 103080990
1,1-Difluoro-3-[(2-phenyltriazol-4-yl)methylamino]propan-2-ol
CID 103731484
2,2-Difluoro-3-[(2-phenyltriazol-4-yl)methylamino]propan-1-ol
CID 104857820
1,1,1-Trifluoro-3-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]propan-2-ol
CID 109968008
1-[1-[1-(4-Fluorophenyl)-5-methyltriazol-4-yl]ethylamino]-4-methylpentan-2-ol
CID 112318850
1-{[(2-benzyl-5-phenyl-2H-1,2,3-triazol-4-yl)methyl]amino}-2-propanol
CID 44615822

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-methyl-2-phenyltriazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[(5-methyl-2-phenyltriazol-4-yl)methylamino]propan-2-ol (CID 153475640) is (2S)-1-[(5-methyl-2-phenyltriazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(5-methyl-2-phenyltriazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[(5-methyl-2-phenyltriazol-4-yl)methylamino]propan-2-ol is Cc1nn(-c2ccccc2)nc1CNC[C@H](C)O.
What is the InChIKey of (2S)-1-[(5-methyl-2-phenyltriazol-4-yl)methylamino]propan-2-ol?
The InChIKey is PUYSLCNSKYFZOI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N4O/c1-10(18)8-14-9-13-11(2)15-17(16-13)12-6-4-3-5-7-12/h3-7,10,14,18H,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-1-[(5-methyl-2-phenyltriazol-4-yl)methylamino]propan-2-ol?
(2S)-1-[(5-methyl-2-phenyltriazol-4-yl)methylamino]propan-2-ol has a molecular weight of 246.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-methyl-2-phenyltriazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 153475640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).