(2S)-1-phenyl-3-(triazol-1-yl)propan-2-amine

C11H14N4 — CID 99737538

IUPAC(2S)-1-phenyl-3-(triazol-1-yl)propan-2-amine
SMILESN[C@@H](Cc1ccccc1)Cn1ccnn1
InChIInChI=1S/C11H14N4/c12-11(9-15-7-6-13-14-15)8-10-4-2-1-3-5-10/h1-7,11H,8-9,12H2/t11-/m0/s1
InChIKeyBLLVIZRKGYXKSU-NSHDSACASA-N
MW202.26 g/mol
LogP0.85
Rot. Bonds4

About (2S)-1-phenyl-3-(triazol-1-yl)propan-2-amine

(2S)-1-phenyl-3-(triazol-1-yl)propan-2-amine (PubChem CID 99737538) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is (2S)-1-phenyl-3-(triazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-phenyl-3-(triazol-1-yl)propan-2-amine
PubChem CID99737538
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name(2S)-1-phenyl-3-(triazol-1-yl)propan-2-amine
SMILESN[C@@H](Cc1ccccc1)Cn1ccnn1
InChIInChI=1S/C11H14N4/c12-11(9-15-7-6-13-14-15)8-10-4-2-1-3-5-10/h1-7,11H,8-9,12H2/t11-/m0/s1
InChIKeyBLLVIZRKGYXKSU-NSHDSACASA-N
XLogP0.85
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-(triazol-1-yl)propan-2-amine
CID 86262570
1-benzyltriazole
CID 141250243
(2S)-4-methyl-1-(triazol-1-yl)pentan-2-amine;hydrochloride
CID 170534885
4-phenyl-1-(triazol-1-yl)butan-2-ol;hydrochloride
CID 66678961
1-(3-phenylpropyl)triazole
CID 12811434
(2R)-1-(triazol-1-yl)propan-2-amine
CID 59543908
(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane
CID 160625551
1-benzyltriazole;carbanide;molecular iodine;palladium;2H-triazole;hydroiodide
CID 159175822
(1R)-1-(2-chlorophenyl)-2-(triazol-1-yl)ethanol
CID 178069277
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-phenylpropan-2-amine
CID 43620478
1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine
CID 114553831
1,4-diphenylbutan-2-amine
CID 60820174

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenyl-3-(triazol-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-phenyl-3-(triazol-1-yl)propan-2-amine (CID 99737538) is (2S)-1-phenyl-3-(triazol-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-phenyl-3-(triazol-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-phenyl-3-(triazol-1-yl)propan-2-amine is N[C@@H](Cc1ccccc1)Cn1ccnn1.
What is the InChIKey of (2S)-1-phenyl-3-(triazol-1-yl)propan-2-amine?
The InChIKey is BLLVIZRKGYXKSU-NSHDSACASA-N. The full InChI is InChI=1S/C11H14N4/c12-11(9-15-7-6-13-14-15)8-10-4-2-1-3-5-10/h1-7,11H,8-9,12H2/t11-/m0/s1.
What are the key properties of (2S)-1-phenyl-3-(triazol-1-yl)propan-2-amine?
(2S)-1-phenyl-3-(triazol-1-yl)propan-2-amine has a molecular weight of 202.26 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenyl-3-(triazol-1-yl)propan-2-amine is sourced from PubChem (CID 99737538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).