(1R)-1-[5-(5-phenyltetrazol-2-yl)-2-pyridinyl]ethanol

C14H13N5O — CID 83131929

IUPAC(1R)-1-[5-(5-phenyltetrazol-2-yl)-2-pyridinyl]ethanol
SMILESC[C@@H](O)c1ccc(-n2nnc(-c3ccccc3)n2)cn1
InChIInChI=1S/C14H13N5O/c1-10(20)13-8-7-12(9-15-13)19-17-14(16-18-19)11-5-3-2-4-6-11/h2-10,20H,1H3/t10-/m1/s1
InChIKeyOEKCWEAOMMJWLR-SNVBAGLBSA-N
MW267.29 g/mol
LogP1.78
Rot. Bonds3

About (1R)-1-[5-(5-phenyltetrazol-2-yl)-2-pyridinyl]ethanol

(1R)-1-[5-(5-phenyltetrazol-2-yl)-2-pyridinyl]ethanol (PubChem CID 83131929) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is (1R)-1-[5-(5-phenyltetrazol-2-yl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-(5-phenyltetrazol-2-yl)-2-pyridinyl]ethanol
PubChem CID83131929
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name(1R)-1-[5-(5-phenyltetrazol-2-yl)-2-pyridinyl]ethanol
SMILESC[C@@H](O)c1ccc(-n2nnc(-c3ccccc3)n2)cn1
InChIInChI=1S/C14H13N5O/c1-10(20)13-8-7-12(9-15-13)19-17-14(16-18-19)11-5-3-2-4-6-11/h2-10,20H,1H3/t10-/m1/s1
InChIKeyOEKCWEAOMMJWLR-SNVBAGLBSA-N
XLogP1.78
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(5-phenyltetrazol-2-yl)-2-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[5-(5-phenyltetrazol-2-yl)-2-pyridinyl]ethanol (CID 83131929) is (1R)-1-[5-(5-phenyltetrazol-2-yl)-2-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[5-(5-phenyltetrazol-2-yl)-2-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[5-(5-phenyltetrazol-2-yl)-2-pyridinyl]ethanol is C[C@@H](O)c1ccc(-n2nnc(-c3ccccc3)n2)cn1.
What is the InChIKey of (1R)-1-[5-(5-phenyltetrazol-2-yl)-2-pyridinyl]ethanol?
The InChIKey is OEKCWEAOMMJWLR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13N5O/c1-10(20)13-8-7-12(9-15-13)19-17-14(16-18-19)11-5-3-2-4-6-11/h2-10,20H,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[5-(5-phenyltetrazol-2-yl)-2-pyridinyl]ethanol?
(1R)-1-[5-(5-phenyltetrazol-2-yl)-2-pyridinyl]ethanol has a molecular weight of 267.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(5-phenyltetrazol-2-yl)-2-pyridinyl]ethanol is sourced from PubChem (CID 83131929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).