2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole

C11H20N6 — CID 107045229

IUPAC2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole
SMILESCn1nnc(CN2CCCC2C2CCCN2)n1
InChIInChI=1S/C11H20N6/c1-16-14-11(13-15-16)8-17-7-3-5-10(17)9-4-2-6-12-9/h9-10,12H,2-8H2,1H3
InChIKeyCPBWEJNZAJUILV-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.07
Rot. Bonds3

About 2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole

2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole (PubChem CID 107045229) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole.

Molecular Properties

Compound Name2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole
PubChem CID107045229
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole
SMILESCn1nnc(CN2CCCC2C2CCCN2)n1
InChIInChI=1S/C11H20N6/c1-16-14-11(13-15-16)8-17-7-3-5-10(17)9-4-2-6-12-9/h9-10,12H,2-8H2,1H3
InChIKeyCPBWEJNZAJUILV-UHFFFAOYSA-N
XLogP-0.07
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-propyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole
CID 62274940
[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 107052540
1-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 66118178
1-(2-fluoroethyl)-2-pyrrolidin-2-ylpyrrolidine
CID 80693813
1-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carbonitrile
CID 107042905
3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane
CID 107056207
1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine
CID 82892557
2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine
CID 104869393
1-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256578
N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 107043572
1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanamine
CID 107040723
(4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine
CID 54339853

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole?
The IUPAC name of 2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole (CID 107045229) is 2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole.
What is the SMILES notation for 2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole?
The canonical SMILES for 2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole is Cn1nnc(CN2CCCC2C2CCCN2)n1.
What is the InChIKey of 2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole?
The InChIKey is CPBWEJNZAJUILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-16-14-11(13-15-16)8-17-7-3-5-10(17)9-4-2-6-12-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole?
2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole has a molecular weight of 236.32 g/mol, XLogP of -0.07, 3 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-2-ylpyrrolidin-1-yl)methyl]tetrazole is sourced from PubChem (CID 107045229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).