1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol

C13H17N5O — CID 62916150

IUPAC1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2nnnn2Cc2ccccc2)C1
InChIInChI=1S/C13H17N5O/c19-12-6-7-17(9-12)10-13-14-15-16-18(13)8-11-4-2-1-3-5-11/h1-5,12,19H,6-10H2
InChIKeyOYIKFRXGHHKGLI-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.29
Rot. Bonds4

About 1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol

1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol (PubChem CID 62916150) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol
PubChem CID62916150
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2nnnn2Cc2ccccc2)C1
InChIInChI=1S/C13H17N5O/c19-12-6-7-17(9-12)10-13-14-15-16-18(13)8-11-4-2-1-3-5-11/h1-5,12,19H,6-10H2
InChIKeyOYIKFRXGHHKGLI-UHFFFAOYSA-N
XLogP0.29
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol
CID 103898432
1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-ol
CID 1454747
1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63264199
(3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine
CID 104975221
1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 113267753
(2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94017565
(2R,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94017567
4,7-bis[(1-benzyltetrazol-5-yl)methyl]-1,4,7-triazonane-1-carbaldehyde
CID 53310713
(3R)-1-benzylazepan-3-ol
CID 124585423
N-(1-benzylpiperidin-3-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
CID 45250145
4-[(1-benzyltetrazol-5-yl)methyl]piperidine
CID 84709168
1-[1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]benzotriazole
CID 652887

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol (CID 62916150) is 1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol is OC1CCN(Cc2nnnn2Cc2ccccc2)C1.
What is the InChIKey of 1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol?
The InChIKey is OYIKFRXGHHKGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c19-12-6-7-17(9-12)10-13-14-15-16-18(13)8-11-4-2-1-3-5-11/h1-5,12,19H,6-10H2.
What are the key properties of 1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol?
1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol has a molecular weight of 259.31 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 62916150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).