(1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol

C18H18N8O2 — CID 11268940

IUPAC(1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol
SMILESO[C@H](c1nnn(Cc2ccccc2)n1)[C@H](O)c1nnn(Cc2ccccc2)n1
InChIInChI=1S/C18H18N8O2/c27-15(17-19-23-25(21-17)11-13-7-3-1-4-8-13)16(28)18-20-24-26(22-18)12-14-9-5-2-6-10-14/h1-10,15-16,27-28H,11-12H2/t15-,16-/m0/s1
InChIKeyPBHVFNKNCLUWES-HOTGVXAUSA-N
MW378.40 g/mol
LogP0.52
Rot. Bonds7

About (1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol

(1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol (PubChem CID 11268940) has the molecular formula C18H18N8O2 and a molecular weight of 378.40 g/mol. Its IUPAC name is (1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol.

Molecular Properties

Compound Name(1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol
PubChem CID11268940
Molecular FormulaC18H18N8O2
Molecular Weight378.40 g/mol
Exact Mass378.16
IUPAC Name(1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol
SMILESO[C@H](c1nnn(Cc2ccccc2)n1)[C@H](O)c1nnn(Cc2ccccc2)n1
InChIInChI=1S/C18H18N8O2/c27-15(17-19-23-25(21-17)11-13-7-3-1-4-8-13)16(28)18-20-24-26(22-18)12-14-9-5-2-6-10-14/h1-10,15-16,27-28H,11-12H2/t15-,16-/m0/s1
InChIKeyPBHVFNKNCLUWES-HOTGVXAUSA-N
XLogP0.52
TPSA127.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol?
The IUPAC name of (1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol (CID 11268940) is (1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol.
What is the SMILES notation for (1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol?
The canonical SMILES for (1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol is O[C@H](c1nnn(Cc2ccccc2)n1)[C@H](O)c1nnn(Cc2ccccc2)n1.
What is the InChIKey of (1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol?
The InChIKey is PBHVFNKNCLUWES-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H18N8O2/c27-15(17-19-23-25(21-17)11-13-7-3-1-4-8-13)16(28)18-20-24-26(22-18)12-14-9-5-2-6-10-14/h1-10,15-16,27-28H,11-12H2/t15-,16-/m0/s1.
What are the key properties of (1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol?
(1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol has a molecular weight of 378.40 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol is sourced from PubChem (CID 11268940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).