[(2S,5R)-5-(1-benzyltetrazol-5-yl)pyrrolidin-2-yl]methanol

C13H17N5O — CID 172884074

IUPAC[(2S,5R)-5-(1-benzyltetrazol-5-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CC[C@H](c2nnnn2Cc2ccccc2)N1
InChIInChI=1S/C13H17N5O/c19-9-11-6-7-12(14-11)13-15-16-17-18(13)8-10-4-2-1-3-5-10/h1-5,11-12,14,19H,6-9H2/t11-,12+/m0/s1
InChIKeyLYRCNQVJPHBDPI-NWDGAFQWSA-N
MW259.31 g/mol
LogP0.51
Rot. Bonds4

About [(2S,5R)-5-(1-benzyltetrazol-5-yl)pyrrolidin-2-yl]methanol

[(2S,5R)-5-(1-benzyltetrazol-5-yl)pyrrolidin-2-yl]methanol (PubChem CID 172884074) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is [(2S,5R)-5-(1-benzyltetrazol-5-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-(1-benzyltetrazol-5-yl)pyrrolidin-2-yl]methanol
PubChem CID172884074
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name[(2S,5R)-5-(1-benzyltetrazol-5-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CC[C@H](c2nnnn2Cc2ccccc2)N1
InChIInChI=1S/C13H17N5O/c19-9-11-6-7-12(14-11)13-15-16-17-18(13)8-10-4-2-1-3-5-10/h1-5,11-12,14,19H,6-9H2/t11-,12+/m0/s1
InChIKeyLYRCNQVJPHBDPI-NWDGAFQWSA-N
XLogP0.51
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(1-benzyltetrazol-5-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-(1-benzyltetrazol-5-yl)pyrrolidin-2-yl]methanol (CID 172884074) is [(2S,5R)-5-(1-benzyltetrazol-5-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-(1-benzyltetrazol-5-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-(1-benzyltetrazol-5-yl)pyrrolidin-2-yl]methanol is OC[C@@H]1CC[C@H](c2nnnn2Cc2ccccc2)N1.
What is the InChIKey of [(2S,5R)-5-(1-benzyltetrazol-5-yl)pyrrolidin-2-yl]methanol?
The InChIKey is LYRCNQVJPHBDPI-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H17N5O/c19-9-11-6-7-12(14-11)13-15-16-17-18(13)8-10-4-2-1-3-5-10/h1-5,11-12,14,19H,6-9H2/t11-,12+/m0/s1.
What are the key properties of [(2S,5R)-5-(1-benzyltetrazol-5-yl)pyrrolidin-2-yl]methanol?
[(2S,5R)-5-(1-benzyltetrazol-5-yl)pyrrolidin-2-yl]methanol has a molecular weight of 259.31 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(1-benzyltetrazol-5-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 172884074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).