(R)-[1-cyclohexyl-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]-phenylmethanol

C18H23N7O — CID 97433929

IUPAC(R)-[1-cyclohexyl-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]-phenylmethanol
SMILESO[C@H](c1ccccc1)c1nc(CCn2cnnn2)n(C2CCCCC2)n1
InChIInChI=1S/C18H23N7O/c26-17(14-7-3-1-4-8-14)18-20-16(11-12-24-13-19-22-23-24)25(21-18)15-9-5-2-6-10-15/h1,3-4,7-8,13,15,17,26H,2,5-6,9-12H2/t17-/m1/s1
InChIKeyNERQDHBZLSVPLD-QGZVFWFLSA-N
MW353.43 g/mol
LogP2.09
Rot. Bonds6

About (R)-[1-cyclohexyl-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]-phenylmethanol

(R)-[1-cyclohexyl-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]-phenylmethanol (PubChem CID 97433929) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is (R)-[1-cyclohexyl-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[1-cyclohexyl-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]-phenylmethanol
PubChem CID97433929
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name(R)-[1-cyclohexyl-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]-phenylmethanol
SMILESO[C@H](c1ccccc1)c1nc(CCn2cnnn2)n(C2CCCCC2)n1
InChIInChI=1S/C18H23N7O/c26-17(14-7-3-1-4-8-14)18-20-16(11-12-24-13-19-22-23-24)25(21-18)15-9-5-2-6-10-15/h1,3-4,7-8,13,15,17,26H,2,5-6,9-12H2/t17-/m1/s1
InChIKeyNERQDHBZLSVPLD-QGZVFWFLSA-N
XLogP2.09
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (R)-[1-cyclohexyl-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]-phenylmethanol?
The IUPAC name of (R)-[1-cyclohexyl-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]-phenylmethanol (CID 97433929) is (R)-[1-cyclohexyl-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]-phenylmethanol.
What is the SMILES notation for (R)-[1-cyclohexyl-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]-phenylmethanol?
The canonical SMILES for (R)-[1-cyclohexyl-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]-phenylmethanol is O[C@H](c1ccccc1)c1nc(CCn2cnnn2)n(C2CCCCC2)n1.
What is the InChIKey of (R)-[1-cyclohexyl-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]-phenylmethanol?
The InChIKey is NERQDHBZLSVPLD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N7O/c26-17(14-7-3-1-4-8-14)18-20-16(11-12-24-13-19-22-23-24)25(21-18)15-9-5-2-6-10-15/h1,3-4,7-8,13,15,17,26H,2,5-6,9-12H2/t17-/m1/s1.
What are the key properties of (R)-[1-cyclohexyl-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]-phenylmethanol?
(R)-[1-cyclohexyl-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]-phenylmethanol has a molecular weight of 353.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[1-cyclohexyl-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]-phenylmethanol is sourced from PubChem (CID 97433929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).