5-(1-tert-butylpyrrolidin-3-yl)-2-methyltetrazole

C10H19N5 — CID 67440886

IUPAC5-(1-tert-butylpyrrolidin-3-yl)-2-methyltetrazole
SMILESCn1nnc(C2CCN(C(C)(C)C)C2)n1
InChIInChI=1S/C10H19N5/c1-10(2,3)15-6-5-8(7-15)9-11-13-14(4)12-9/h8H,5-7H2,1-4H3
InChIKeyZXWBMMSDIQLROE-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.80
Rot. Bonds1

About 5-(1-tert-butylpyrrolidin-3-yl)-2-methyltetrazole

5-(1-tert-butylpyrrolidin-3-yl)-2-methyltetrazole (PubChem CID 67440886) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 5-(1-tert-butylpyrrolidin-3-yl)-2-methyltetrazole.

Molecular Properties

Compound Name5-(1-tert-butylpyrrolidin-3-yl)-2-methyltetrazole
PubChem CID67440886
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name5-(1-tert-butylpyrrolidin-3-yl)-2-methyltetrazole
SMILESCn1nnc(C2CCN(C(C)(C)C)C2)n1
InChIInChI=1S/C10H19N5/c1-10(2,3)15-6-5-8(7-15)9-11-13-14(4)12-9/h8H,5-7H2,1-4H3
InChIKeyZXWBMMSDIQLROE-UHFFFAOYSA-N
XLogP0.80
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-tert-butylpyrrolidin-3-yl)-2-methyltetrazole?
The IUPAC name of 5-(1-tert-butylpyrrolidin-3-yl)-2-methyltetrazole (CID 67440886) is 5-(1-tert-butylpyrrolidin-3-yl)-2-methyltetrazole.
What is the SMILES notation for 5-(1-tert-butylpyrrolidin-3-yl)-2-methyltetrazole?
The canonical SMILES for 5-(1-tert-butylpyrrolidin-3-yl)-2-methyltetrazole is Cn1nnc(C2CCN(C(C)(C)C)C2)n1.
What is the InChIKey of 5-(1-tert-butylpyrrolidin-3-yl)-2-methyltetrazole?
The InChIKey is ZXWBMMSDIQLROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-10(2,3)15-6-5-8(7-15)9-11-13-14(4)12-9/h8H,5-7H2,1-4H3.
What are the key properties of 5-(1-tert-butylpyrrolidin-3-yl)-2-methyltetrazole?
5-(1-tert-butylpyrrolidin-3-yl)-2-methyltetrazole has a molecular weight of 209.30 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-tert-butylpyrrolidin-3-yl)-2-methyltetrazole is sourced from PubChem (CID 67440886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).