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

C9H17N5 — CID 58431103

IUPAC2-methyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole
SMILESCC(C)N1CC[C@@H](c2nnn(C)n2)C1
InChIInChI=1S/C9H17N5/c1-7(2)14-5-4-8(6-14)9-10-12-13(3)11-9/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyIYWPALHGJOJKAQ-MRVPVSSYSA-N
MW195.27 g/mol
LogP0.41
Rot. Bonds2

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

2-methyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole (PubChem CID 58431103) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-methyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole.

Molecular Properties

Compound Name2-methyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole
PubChem CID58431103
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name2-methyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole
SMILESCC(C)N1CC[C@@H](c2nnn(C)n2)C1
InChIInChI=1S/C9H17N5/c1-7(2)14-5-4-8(6-14)9-10-12-13(3)11-9/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyIYWPALHGJOJKAQ-MRVPVSSYSA-N
XLogP0.41
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole?
The IUPAC name of 2-methyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole (CID 58431103) is 2-methyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole.
What is the SMILES notation for 2-methyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole?
The canonical SMILES for 2-methyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole is CC(C)N1CC[C@@H](c2nnn(C)n2)C1.
What is the InChIKey of 2-methyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole?
The InChIKey is IYWPALHGJOJKAQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17N5/c1-7(2)14-5-4-8(6-14)9-10-12-13(3)11-9/h7-8H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of 2-methyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole?
2-methyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole has a molecular weight of 195.27 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]tetrazole is sourced from PubChem (CID 58431103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).