5-[(2S)-pyrrolidin-2-yl]-2H-tetrazole

C5H9N5 — CID 11275040

IUPAC5-[(2S)-pyrrolidin-2-yl]-2H-tetrazole
SMILESC1CN[C@H](c2nn[nH]n2)C1
InChIInChI=1S/C5H9N5/c1-2-4(6-3-1)5-7-9-10-8-5/h4,6H,1-3H2,(H,7,8,9,10)/t4-/m0/s1
InChIKeyXUHYQIQIENDJER-BYPYZUCNSA-N
MW139.16 g/mol
LogP-0.38
Rot. Bonds1

About 5-[(2S)-pyrrolidin-2-yl]-2H-tetrazole

5-[(2S)-pyrrolidin-2-yl]-2H-tetrazole (PubChem CID 11275040) has the molecular formula C5H9N5 and a molecular weight of 139.16 g/mol. Its IUPAC name is 5-[(2S)-pyrrolidin-2-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(2S)-pyrrolidin-2-yl]-2H-tetrazole
PubChem CID11275040
Molecular FormulaC5H9N5
Molecular Weight139.16 g/mol
Exact Mass139.09
IUPAC Name5-[(2S)-pyrrolidin-2-yl]-2H-tetrazole
SMILESC1CN[C@H](c2nn[nH]n2)C1
InChIInChI=1S/C5H9N5/c1-2-4(6-3-1)5-7-9-10-8-5/h4,6H,1-3H2,(H,7,8,9,10)/t4-/m0/s1
InChIKeyXUHYQIQIENDJER-BYPYZUCNSA-N
XLogP-0.38
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Pyrrolidin-2-yl)tetrazole
CID 10261161
5-((2R)-pyrrolidin-2-yl)-1H-1,2,3,4-tetrazole
CID 11457736
5-(pyrrolidin-2-yl)-1H-1,2,3,4-tetrazole hydrochloride
CID 42962676
5-((2R)-Pyrrolidin-2-yl)-2H-1,2,3,4-tetrazole hydrochloride
CID 118998398
5-((pyrrolidin-3-yl)methyl)-1H-1,2,3,4-tetrazole hydrochloride
CID 132346296
(S)-5-Pyrrolidin-2-ylmethyl-1H-tetrazole
CID 11194439
5-[(2S)-4,4-difluoropyrrolidin-2-yl]-2H-tetrazole
CID 89827180
5-(4,4-difluoropyrrolidin-2-yl)-2H-tetrazole
CID 89827182
5-(1-cyclopentyl-5-fluoropyrazolidin-3-yl)-2H-tetrazole
CID 141111944
5-[[(2S)-pyrrolidin-2-yl]methyl]-1H-tetrazole
CID 53421238
(S)-5-(Pyrrolidin-2-yl)-1H-tetrazole hydrochloride
CID 118998400
5-[(pyrrolidin-3-yl)methyl]-2H-1,2,3,4-tetrazole
CID 84649792

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-pyrrolidin-2-yl]-2H-tetrazole?
The IUPAC name of 5-[(2S)-pyrrolidin-2-yl]-2H-tetrazole (CID 11275040) is 5-[(2S)-pyrrolidin-2-yl]-2H-tetrazole.
What is the SMILES notation for 5-[(2S)-pyrrolidin-2-yl]-2H-tetrazole?
The canonical SMILES for 5-[(2S)-pyrrolidin-2-yl]-2H-tetrazole is C1CN[C@H](c2nn[nH]n2)C1.
What is the InChIKey of 5-[(2S)-pyrrolidin-2-yl]-2H-tetrazole?
The InChIKey is XUHYQIQIENDJER-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9N5/c1-2-4(6-3-1)5-7-9-10-8-5/h4,6H,1-3H2,(H,7,8,9,10)/t4-/m0/s1.
What are the key properties of 5-[(2S)-pyrrolidin-2-yl]-2H-tetrazole?
5-[(2S)-pyrrolidin-2-yl]-2H-tetrazole has a molecular weight of 139.16 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-pyrrolidin-2-yl]-2H-tetrazole is sourced from PubChem (CID 11275040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).