(1S,2S)-2-amino-2-phenyl-1-(2H-tetrazol-5-yl)ethanol

C9H11N5O — CID 130427905

IUPAC(1S,2S)-2-amino-2-phenyl-1-(2H-tetrazol-5-yl)ethanol
SMILESN[C@@H](c1ccccc1)[C@H](O)c1nn[nH]n1
InChIInChI=1S/C9H11N5O/c10-7(6-4-2-1-3-5-6)8(15)9-11-13-14-12-9/h1-5,7-8,15H,10H2,(H,11,12,13,14)/t7-,8-/m0/s1
InChIKeyURWIQTWECLXPMY-YUMQZZPRSA-N
MW205.22 g/mol
LogP-0.07
Rot. Bonds3

About (1S,2S)-2-amino-2-phenyl-1-(2H-tetrazol-5-yl)ethanol

(1S,2S)-2-amino-2-phenyl-1-(2H-tetrazol-5-yl)ethanol (PubChem CID 130427905) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is (1S,2S)-2-amino-2-phenyl-1-(2H-tetrazol-5-yl)ethanol.

Molecular Properties

Compound Name(1S,2S)-2-amino-2-phenyl-1-(2H-tetrazol-5-yl)ethanol
PubChem CID130427905
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name(1S,2S)-2-amino-2-phenyl-1-(2H-tetrazol-5-yl)ethanol
SMILESN[C@@H](c1ccccc1)[C@H](O)c1nn[nH]n1
InChIInChI=1S/C9H11N5O/c10-7(6-4-2-1-3-5-6)8(15)9-11-13-14-12-9/h1-5,7-8,15H,10H2,(H,11,12,13,14)/t7-,8-/m0/s1
InChIKeyURWIQTWECLXPMY-YUMQZZPRSA-N
XLogP-0.07
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-amino-2-phenyl-1-(2H-tetrazol-5-yl)ethanol?
The IUPAC name of (1S,2S)-2-amino-2-phenyl-1-(2H-tetrazol-5-yl)ethanol (CID 130427905) is (1S,2S)-2-amino-2-phenyl-1-(2H-tetrazol-5-yl)ethanol.
What is the SMILES notation for (1S,2S)-2-amino-2-phenyl-1-(2H-tetrazol-5-yl)ethanol?
The canonical SMILES for (1S,2S)-2-amino-2-phenyl-1-(2H-tetrazol-5-yl)ethanol is N[C@@H](c1ccccc1)[C@H](O)c1nn[nH]n1.
What is the InChIKey of (1S,2S)-2-amino-2-phenyl-1-(2H-tetrazol-5-yl)ethanol?
The InChIKey is URWIQTWECLXPMY-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H11N5O/c10-7(6-4-2-1-3-5-6)8(15)9-11-13-14-12-9/h1-5,7-8,15H,10H2,(H,11,12,13,14)/t7-,8-/m0/s1.
What are the key properties of (1S,2S)-2-amino-2-phenyl-1-(2H-tetrazol-5-yl)ethanol?
(1S,2S)-2-amino-2-phenyl-1-(2H-tetrazol-5-yl)ethanol has a molecular weight of 205.22 g/mol, XLogP of -0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-amino-2-phenyl-1-(2H-tetrazol-5-yl)ethanol is sourced from PubChem (CID 130427905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).