(3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol

C12H15N5O2 — CID 79410432

IUPAC(3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(Cc2nnnn2-c2ccccc2)C[C@@H]1O
InChIInChI=1S/C12H15N5O2/c18-10-6-16(7-11(10)19)8-12-13-14-15-17(12)9-4-2-1-3-5-9/h1-5,10-11,18-19H,6-8H2/t10-,11+
InChIKeyABKLTVYZKADRGO-PHIMTYICSA-N
MW261.28 g/mol
LogP-0.80
Rot. Bonds3

About (3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol

(3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol (PubChem CID 79410432) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is (3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol
PubChem CID79410432
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name(3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(Cc2nnnn2-c2ccccc2)C[C@@H]1O
InChIInChI=1S/C12H15N5O2/c18-10-6-16(7-11(10)19)8-12-13-14-15-17(12)9-4-2-1-3-5-9/h1-5,10-11,18-19H,6-8H2/t10-,11+
InChIKeyABKLTVYZKADRGO-PHIMTYICSA-N
XLogP-0.80
TPSA87.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1-phenyltetrazol-5-yl)methyl]azepane
CID 47010715
(3S,4R)-4-phenyl-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120761550
[(3R,4R)-4-phenyl-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120759454
N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride
CID 119920301
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
CID 37206138
3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine
CID 120775351
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
1-(azepan-1-yl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 30738891
(3S,4R)-1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120761195
3-ethoxy-7-[(1-phenyltetrazol-5-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 111457359
ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate
CID 31314529

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol?
The IUPAC name of (3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol (CID 79410432) is (3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol?
The canonical SMILES for (3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol is O[C@@H]1CN(Cc2nnnn2-c2ccccc2)C[C@@H]1O.
What is the InChIKey of (3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol?
The InChIKey is ABKLTVYZKADRGO-PHIMTYICSA-N. The full InChI is InChI=1S/C12H15N5O2/c18-10-6-16(7-11(10)19)8-12-13-14-15-17(12)9-4-2-1-3-5-9/h1-5,10-11,18-19H,6-8H2/t10-,11+.
What are the key properties of (3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol?
(3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol has a molecular weight of 261.28 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 79410432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).