[(1R)-1-(2-chlorophenyl)-1,2,2-trideuterio-2-(tetrazol-2-yl)ethyl] carbamate

C10H10ClN5O2 — CID 175881321

IUPAC[(1R)-1-(2-chlorophenyl)-1,2,2-trideuterio-2-(tetrazol-2-yl)ethyl] carbamate
SMILES[2H]C([2H])(n1ncnn1)[C@]([2H])(OC(N)=O)c1ccccc1Cl
InChIInChI=1S/C10H10ClN5O2/c11-8-4-2-1-3-7(8)9(18-10(12)17)5-16-14-6-13-15-16/h1-4,6,9H,5H2,(H2,12,17)/t9-/m0/s1/i5D2,9D
InChIKeyGFHAXPJGXSQLPT-PKHUVNBJSA-N
MW270.69 g/mol
LogP1.16
Rot. Bonds4

About [(1R)-1-(2-chlorophenyl)-1,2,2-trideuterio-2-(tetrazol-2-yl)ethyl] carbamate

[(1R)-1-(2-chlorophenyl)-1,2,2-trideuterio-2-(tetrazol-2-yl)ethyl] carbamate (PubChem CID 175881321) has the molecular formula C10H10ClN5O2 and a molecular weight of 270.69 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)-1,2,2-trideuterio-2-(tetrazol-2-yl)ethyl] carbamate.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)-1,2,2-trideuterio-2-(tetrazol-2-yl)ethyl] carbamate
PubChem CID175881321
Molecular FormulaC10H10ClN5O2
Molecular Weight270.69 g/mol
Exact Mass270.07
IUPAC Name[(1R)-1-(2-chlorophenyl)-1,2,2-trideuterio-2-(tetrazol-2-yl)ethyl] carbamate
SMILES[2H]C([2H])(n1ncnn1)[C@]([2H])(OC(N)=O)c1ccccc1Cl
InChIInChI=1S/C10H10ClN5O2/c11-8-4-2-1-3-7(8)9(18-10(12)17)5-16-14-6-13-15-16/h1-4,6,9H,5H2,(H2,12,17)/t9-/m0/s1/i5D2,9D
InChIKeyGFHAXPJGXSQLPT-PKHUVNBJSA-N
XLogP1.16
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)-1,2,2-trideuterio-2-(tetrazol-2-yl)ethyl] carbamate?
The IUPAC name of [(1R)-1-(2-chlorophenyl)-1,2,2-trideuterio-2-(tetrazol-2-yl)ethyl] carbamate (CID 175881321) is [(1R)-1-(2-chlorophenyl)-1,2,2-trideuterio-2-(tetrazol-2-yl)ethyl] carbamate.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)-1,2,2-trideuterio-2-(tetrazol-2-yl)ethyl] carbamate?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)-1,2,2-trideuterio-2-(tetrazol-2-yl)ethyl] carbamate is [2H]C([2H])(n1ncnn1)[C@]([2H])(OC(N)=O)c1ccccc1Cl.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)-1,2,2-trideuterio-2-(tetrazol-2-yl)ethyl] carbamate?
The InChIKey is GFHAXPJGXSQLPT-PKHUVNBJSA-N. The full InChI is InChI=1S/C10H10ClN5O2/c11-8-4-2-1-3-7(8)9(18-10(12)17)5-16-14-6-13-15-16/h1-4,6,9H,5H2,(H2,12,17)/t9-/m0/s1/i5D2,9D.
What are the key properties of [(1R)-1-(2-chlorophenyl)-1,2,2-trideuterio-2-(tetrazol-2-yl)ethyl] carbamate?
[(1R)-1-(2-chlorophenyl)-1,2,2-trideuterio-2-(tetrazol-2-yl)ethyl] carbamate has a molecular weight of 270.69 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)-1,2,2-trideuterio-2-(tetrazol-2-yl)ethyl] carbamate is sourced from PubChem (CID 175881321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).