(1S,2R,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol

C12H16N4O3 — CID 25323176

IUPAC(1S,2R,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol
SMILESNC[C@H](O)[C@@H](O)[C@@H](O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C12H16N4O3/c13-6-10(17)12(19)11(18)9-7-14-16(15-9)8-4-2-1-3-5-8/h1-5,7,10-12,17-19H,6,13H2/t10-,11-,12+/m0/s1
InChIKeyRFLWNLAGEPXFTL-SDDRHHMPSA-N
MW264.29 g/mol
LogP-1.02
Rot. Bonds5

About (1S,2R,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol

(1S,2R,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol (PubChem CID 25323176) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is (1S,2R,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol.

Molecular Properties

Compound Name(1S,2R,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol
PubChem CID25323176
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Name(1S,2R,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol
SMILESNC[C@H](O)[C@@H](O)[C@@H](O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C12H16N4O3/c13-6-10(17)12(19)11(18)9-7-14-16(15-9)8-4-2-1-3-5-8/h1-5,7,10-12,17-19H,6,13H2/t10-,11-,12+/m0/s1
InChIKeyRFLWNLAGEPXFTL-SDDRHHMPSA-N
XLogP-1.02
TPSA117.42 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(1R,2S,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol
CID 98149039
2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol
CID 114013665
[(2S,3R,4S)-2,3,4-trihydroxy-4-(2-phenyltriazol-4-yl)butyl] 4-methylbenzenesulfonate
CID 25323166
3-benzyl-1-[2,3,4-trihydroxy-4-(2-phenyltriazol-4-yl)butyl]imidazolidin-4-one
CID 167849092
4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol
CID 105091547
3-methylsulfonyl-1-(2-phenyltriazol-4-yl)propan-1-ol
CID 114983866
4-pentan-2-yl-2-phenyltriazole
CID 163429787
(2-phenyltriazol-4-yl)-thiophen-3-ylmethanol
CID 105102746
(2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine
CID 105099586
3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol
CID 103027965
(1-ethylimidazol-2-yl)-(2-phenyltriazol-4-yl)methanol
CID 105099050
2-(1-methyltriazol-4-yl)-1-(2-phenyltriazol-4-yl)ethanol
CID 107065645

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol?
The IUPAC name of (1S,2R,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol (CID 25323176) is (1S,2R,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol.
What is the SMILES notation for (1S,2R,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol?
The canonical SMILES for (1S,2R,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol is NC[C@H](O)[C@@H](O)[C@@H](O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of (1S,2R,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol?
The InChIKey is RFLWNLAGEPXFTL-SDDRHHMPSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-6-10(17)12(19)11(18)9-7-14-16(15-9)8-4-2-1-3-5-8/h1-5,7,10-12,17-19H,6,13H2/t10-,11-,12+/m0/s1.
What are the key properties of (1S,2R,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol?
(1S,2R,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol has a molecular weight of 264.29 g/mol, XLogP of -1.02, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol is sourced from PubChem (CID 25323176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).