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

C12H23N5 — CID 58430868

IUPAC2-tert-butyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole
SMILESCC(C)N1CC[C@@H](c2nnn(C(C)(C)C)n2)C1
InChIInChI=1S/C12H23N5/c1-9(2)16-7-6-10(8-16)11-13-15-17(14-11)12(3,4)5/h9-10H,6-8H2,1-5H3/t10-/m1/s1
InChIKeyVXIYBFXDPCMPAN-SNVBAGLBSA-N
MW237.35 g/mol
LogP1.63
Rot. Bonds2

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

2-tert-butyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole (PubChem CID 58430868) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-tert-butyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole.

Molecular Properties

Compound Name2-tert-butyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole
PubChem CID58430868
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name2-tert-butyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole
SMILESCC(C)N1CC[C@@H](c2nnn(C(C)(C)C)n2)C1
InChIInChI=1S/C12H23N5/c1-9(2)16-7-6-10(8-16)11-13-15-17(14-11)12(3,4)5/h9-10H,6-8H2,1-5H3/t10-/m1/s1
InChIKeyVXIYBFXDPCMPAN-SNVBAGLBSA-N
XLogP1.63
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole?
The IUPAC name of 2-tert-butyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole (CID 58430868) is 2-tert-butyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole.
What is the SMILES notation for 2-tert-butyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole?
The canonical SMILES for 2-tert-butyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole is CC(C)N1CC[C@@H](c2nnn(C(C)(C)C)n2)C1.
What is the InChIKey of 2-tert-butyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole?
The InChIKey is VXIYBFXDPCMPAN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23N5/c1-9(2)16-7-6-10(8-16)11-13-15-17(14-11)12(3,4)5/h9-10H,6-8H2,1-5H3/t10-/m1/s1.
What are the key properties of 2-tert-butyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole?
2-tert-butyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole has a molecular weight of 237.35 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole is sourced from PubChem (CID 58430868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).