5-[(3R)-1-ethylpyrrolidin-3-yl]-2-methyltetrazole

C8H15N5 — CID 90378827

IUPAC5-[(3R)-1-ethylpyrrolidin-3-yl]-2-methyltetrazole
SMILESCCN1CC[C@@H](c2nnn(C)n2)C1
InChIInChI=1S/C8H15N5/c1-3-13-5-4-7(6-13)8-9-11-12(2)10-8/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyRZTKDSRWDKWUMT-SSDOTTSWSA-N
MW181.24 g/mol
LogP0.02
Rot. Bonds2

About 5-[(3R)-1-ethylpyrrolidin-3-yl]-2-methyltetrazole

5-[(3R)-1-ethylpyrrolidin-3-yl]-2-methyltetrazole (PubChem CID 90378827) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-[(3R)-1-ethylpyrrolidin-3-yl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[(3R)-1-ethylpyrrolidin-3-yl]-2-methyltetrazole
PubChem CID90378827
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name5-[(3R)-1-ethylpyrrolidin-3-yl]-2-methyltetrazole
SMILESCCN1CC[C@@H](c2nnn(C)n2)C1
InChIInChI=1S/C8H15N5/c1-3-13-5-4-7(6-13)8-9-11-12(2)10-8/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyRZTKDSRWDKWUMT-SSDOTTSWSA-N
XLogP0.02
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-ethylpyrrolidin-3-yl]-2-methyltetrazole?
The IUPAC name of 5-[(3R)-1-ethylpyrrolidin-3-yl]-2-methyltetrazole (CID 90378827) is 5-[(3R)-1-ethylpyrrolidin-3-yl]-2-methyltetrazole.
What is the SMILES notation for 5-[(3R)-1-ethylpyrrolidin-3-yl]-2-methyltetrazole?
The canonical SMILES for 5-[(3R)-1-ethylpyrrolidin-3-yl]-2-methyltetrazole is CCN1CC[C@@H](c2nnn(C)n2)C1.
What is the InChIKey of 5-[(3R)-1-ethylpyrrolidin-3-yl]-2-methyltetrazole?
The InChIKey is RZTKDSRWDKWUMT-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15N5/c1-3-13-5-4-7(6-13)8-9-11-12(2)10-8/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of 5-[(3R)-1-ethylpyrrolidin-3-yl]-2-methyltetrazole?
5-[(3R)-1-ethylpyrrolidin-3-yl]-2-methyltetrazole has a molecular weight of 181.24 g/mol, XLogP of 0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-ethylpyrrolidin-3-yl]-2-methyltetrazole is sourced from PubChem (CID 90378827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).