5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-2H-tetrazole

C8H15N5 — CID 58430924

IUPAC5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-2H-tetrazole
SMILESCC(C)N1CC[C@@H](c2nn[nH]n2)C1
InChIInChI=1S/C8H15N5/c1-6(2)13-4-3-7(5-13)8-9-11-12-10-8/h6-7H,3-5H2,1-2H3,(H,9,10,11,12)/t7-/m1/s1
InChIKeyMZSBVNIWZZDBOC-SSDOTTSWSA-N
MW181.24 g/mol
LogP0.40
Rot. Bonds2

About 5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-2H-tetrazole

5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-2H-tetrazole (PubChem CID 58430924) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-2H-tetrazole
PubChem CID58430924
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-2H-tetrazole
SMILESCC(C)N1CC[C@@H](c2nn[nH]n2)C1
InChIInChI=1S/C8H15N5/c1-6(2)13-4-3-7(5-13)8-9-11-12-10-8/h6-7H,3-5H2,1-2H3,(H,9,10,11,12)/t7-/m1/s1
InChIKeyMZSBVNIWZZDBOC-SSDOTTSWSA-N
XLogP0.40
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-2H-tetrazole?
The IUPAC name of 5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-2H-tetrazole (CID 58430924) is 5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-2H-tetrazole.
What is the SMILES notation for 5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-2H-tetrazole?
The canonical SMILES for 5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-2H-tetrazole is CC(C)N1CC[C@@H](c2nn[nH]n2)C1.
What is the InChIKey of 5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-2H-tetrazole?
The InChIKey is MZSBVNIWZZDBOC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15N5/c1-6(2)13-4-3-7(5-13)8-9-11-12-10-8/h6-7H,3-5H2,1-2H3,(H,9,10,11,12)/t7-/m1/s1.
What are the key properties of 5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-2H-tetrazole?
5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-2H-tetrazole has a molecular weight of 181.24 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-2H-tetrazole is sourced from PubChem (CID 58430924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).