(2S)-2-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol

C15H22N4O — CID 51684343

IUPAC(2S)-2-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1nn(CC)nc1-c1ccccc1
InChIInChI=1S/C15H22N4O/c1-3-13(11-20)16-10-14-15(18-19(4-2)17-14)12-8-6-5-7-9-12/h5-9,13,16,20H,3-4,10-11H2,1-2H3/t13-/m0/s1
InChIKeyUYMWWWYSACJNIM-ZDUSSCGKSA-N
MW274.37 g/mol
LogP1.83
Rot. Bonds7

About (2S)-2-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol

(2S)-2-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol (PubChem CID 51684343) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (2S)-2-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol
PubChem CID51684343
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(2S)-2-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1nn(CC)nc1-c1ccccc1
InChIInChI=1S/C15H22N4O/c1-3-13(11-20)16-10-14-15(18-19(4-2)17-14)12-8-6-5-7-9-12/h5-9,13,16,20H,3-4,10-11H2,1-2H3/t13-/m0/s1
InChIKeyUYMWWWYSACJNIM-ZDUSSCGKSA-N
XLogP1.83
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol
CID 124820127
(2S)-2-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124821957
(2R)-2-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124822746
(2S)-2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124821510
(2S)-2-[(5-phenyl-2H-triazol-4-yl)methylamino]butan-1-ol
CID 98571652
2-[3-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propylamino]ethanol
CID 125114243
(2S)-N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124830978
N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-1-amine
CID 94073987
N-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine
CID 94074032
(2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol
CID 834361
N-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine
CID 63643657
1-(2-ethyl-5-phenyltriazol-4-yl)propan-1-ol
CID 102048497

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol?
The IUPAC name of (2S)-2-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol (CID 51684343) is (2S)-2-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol is CC[C@@H](CO)NCc1nn(CC)nc1-c1ccccc1.
What is the InChIKey of (2S)-2-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol?
The InChIKey is UYMWWWYSACJNIM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-13(11-20)16-10-14-15(18-19(4-2)17-14)12-8-6-5-7-9-12/h5-9,13,16,20H,3-4,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-2-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol?
(2S)-2-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol has a molecular weight of 274.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 51684343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).