2-methyl-5-(2-pyrrolidin-3-ylethoxymethyl)tetrazole

C9H17N5O — CID 107044487

IUPAC2-methyl-5-(2-pyrrolidin-3-ylethoxymethyl)tetrazole
SMILESCn1nnc(COCCC2CCNC2)n1
InChIInChI=1S/C9H17N5O/c1-14-12-9(11-13-14)7-15-5-3-8-2-4-10-6-8/h8,10H,2-7H2,1H3
InChIKeyUYFUYRRZQCLZBW-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.27
Rot. Bonds5

About 2-methyl-5-(2-pyrrolidin-3-ylethoxymethyl)tetrazole

2-methyl-5-(2-pyrrolidin-3-ylethoxymethyl)tetrazole (PubChem CID 107044487) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-methyl-5-(2-pyrrolidin-3-ylethoxymethyl)tetrazole.

Molecular Properties

Compound Name2-methyl-5-(2-pyrrolidin-3-ylethoxymethyl)tetrazole
PubChem CID107044487
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name2-methyl-5-(2-pyrrolidin-3-ylethoxymethyl)tetrazole
SMILESCn1nnc(COCCC2CCNC2)n1
InChIInChI=1S/C9H17N5O/c1-14-12-9(11-13-14)7-15-5-3-8-2-4-10-6-8/h8,10H,2-7H2,1H3
InChIKeyUYFUYRRZQCLZBW-UHFFFAOYSA-N
XLogP-0.27
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-pyrrolidin-3-ylethoxymethyl)tetrazole?
The IUPAC name of 2-methyl-5-(2-pyrrolidin-3-ylethoxymethyl)tetrazole (CID 107044487) is 2-methyl-5-(2-pyrrolidin-3-ylethoxymethyl)tetrazole.
What is the SMILES notation for 2-methyl-5-(2-pyrrolidin-3-ylethoxymethyl)tetrazole?
The canonical SMILES for 2-methyl-5-(2-pyrrolidin-3-ylethoxymethyl)tetrazole is Cn1nnc(COCCC2CCNC2)n1.
What is the InChIKey of 2-methyl-5-(2-pyrrolidin-3-ylethoxymethyl)tetrazole?
The InChIKey is UYFUYRRZQCLZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-14-12-9(11-13-14)7-15-5-3-8-2-4-10-6-8/h8,10H,2-7H2,1H3.
What are the key properties of 2-methyl-5-(2-pyrrolidin-3-ylethoxymethyl)tetrazole?
2-methyl-5-(2-pyrrolidin-3-ylethoxymethyl)tetrazole has a molecular weight of 211.27 g/mol, XLogP of -0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-pyrrolidin-3-ylethoxymethyl)tetrazole is sourced from PubChem (CID 107044487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).