2-amino-1-(2-benzyltetrazol-5-yl)ethanol

C10H13N5O — CID 84786669

IUPAC2-amino-1-(2-benzyltetrazol-5-yl)ethanol
SMILESNCC(O)c1nnn(Cc2ccccc2)n1
InChIInChI=1S/C10H13N5O/c11-6-9(16)10-12-14-15(13-10)7-8-4-2-1-3-5-8/h1-5,9,16H,6-7,11H2
InChIKeyVIMHUPFUILUQDQ-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.29
Rot. Bonds4

About 2-amino-1-(2-benzyltetrazol-5-yl)ethanol

2-amino-1-(2-benzyltetrazol-5-yl)ethanol (PubChem CID 84786669) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-amino-1-(2-benzyltetrazol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2-benzyltetrazol-5-yl)ethanol
PubChem CID84786669
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-amino-1-(2-benzyltetrazol-5-yl)ethanol
SMILESNCC(O)c1nnn(Cc2ccccc2)n1
InChIInChI=1S/C10H13N5O/c11-6-9(16)10-12-14-15(13-10)7-8-4-2-1-3-5-8/h1-5,9,16H,6-7,11H2
InChIKeyVIMHUPFUILUQDQ-UHFFFAOYSA-N
XLogP-0.29
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-benzyltetrazol-5-yl)ethanol?
The IUPAC name of 2-amino-1-(2-benzyltetrazol-5-yl)ethanol (CID 84786669) is 2-amino-1-(2-benzyltetrazol-5-yl)ethanol.
What is the SMILES notation for 2-amino-1-(2-benzyltetrazol-5-yl)ethanol?
The canonical SMILES for 2-amino-1-(2-benzyltetrazol-5-yl)ethanol is NCC(O)c1nnn(Cc2ccccc2)n1.
What is the InChIKey of 2-amino-1-(2-benzyltetrazol-5-yl)ethanol?
The InChIKey is VIMHUPFUILUQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c11-6-9(16)10-12-14-15(13-10)7-8-4-2-1-3-5-8/h1-5,9,16H,6-7,11H2.
What are the key properties of 2-amino-1-(2-benzyltetrazol-5-yl)ethanol?
2-amino-1-(2-benzyltetrazol-5-yl)ethanol has a molecular weight of 219.25 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-benzyltetrazol-5-yl)ethanol is sourced from PubChem (CID 84786669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).