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

C13H24N6 — CID 62274940

IUPAC1-propyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole
SMILESCCCn1nnnc1CN1CCCC1C1CCCN1
InChIInChI=1S/C13H24N6/c1-2-8-19-13(15-16-17-19)10-18-9-4-6-12(18)11-5-3-7-14-11/h11-12,14H,2-10H2,1H3
InChIKeyPZWISMCQWNVSQQ-UHFFFAOYSA-N
MW264.38 g/mol
LogP0.80
Rot. Bonds5

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

1-propyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole (PubChem CID 62274940) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 1-propyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole.

Molecular Properties

Compound Name1-propyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole
PubChem CID62274940
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name1-propyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole
SMILESCCCn1nnnc1CN1CCCC1C1CCCN1
InChIInChI=1S/C13H24N6/c1-2-8-19-13(15-16-17-19)10-18-9-4-6-12(18)11-5-3-7-14-11/h11-12,14H,2-10H2,1H3
InChIKeyPZWISMCQWNVSQQ-UHFFFAOYSA-N
XLogP0.80
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-propyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63257316
1-[(1-butyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63257489
2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole
CID 107045229
3-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 107072228
1-[(2S)-2-[(2R)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95346528
1-[(1-propyltetrazol-5-yl)methyl]piperazine
CID 43090479
1-(2-fluoroethyl)-2-pyrrolidin-2-ylpyrrolidine
CID 80693813
1-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 66118178
(3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine
CID 96538871
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
3-[(1-propyltetrazol-5-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81490223

Frequently Asked Questions

What is the IUPAC name of 1-propyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole?
The IUPAC name of 1-propyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole (CID 62274940) is 1-propyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole.
What is the SMILES notation for 1-propyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole?
The canonical SMILES for 1-propyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole is CCCn1nnnc1CN1CCCC1C1CCCN1.
What is the InChIKey of 1-propyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole?
The InChIKey is PZWISMCQWNVSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-2-8-19-13(15-16-17-19)10-18-9-4-6-12(18)11-5-3-7-14-11/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-propyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole?
1-propyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole has a molecular weight of 264.38 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole is sourced from PubChem (CID 62274940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).