2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride

C6H12ClN5 — CID 155895364

IUPAC2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride
SMILESCl.Cn1nnc(C2CCCN2)n1
InChIInChI=1S/C6H11N5.ClH/c1-11-9-6(8-10-11)5-3-2-4-7-5;/h5,7H,2-4H2,1H3;1H
InChIKeyUCHVMXIYBCLOAD-UHFFFAOYSA-N
MW189.65 g/mol
LogP0.06
Rot. Bonds1

About 2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride

2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride (PubChem CID 155895364) has the molecular formula C6H12ClN5 and a molecular weight of 189.65 g/mol. Its IUPAC name is 2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride
PubChem CID155895364
Molecular FormulaC6H12ClN5
Molecular Weight189.65 g/mol
Exact Mass189.08
IUPAC Name2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride
SMILESCl.Cn1nnc(C2CCCN2)n1
InChIInChI=1S/C6H11N5.ClH/c1-11-9-6(8-10-11)5-3-2-4-7-5;/h5,7H,2-4H2,1H3;1H
InChIKeyUCHVMXIYBCLOAD-UHFFFAOYSA-N
XLogP0.06
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.65
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[5-[(2S)-pyrrolidin-2-yl]tetrazol-2-yl]ethanamine
CID 69400771
2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 154883622
2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine
CID 104915236
5-pyrrolidin-2-yl-2H-tetrazole;hydrochloride
CID 42962676
2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 62406028
4-fluoro-1,5-dimethyl-3-pyrrolidin-2-ylpyrazole
CID 89231145
2-(4-methyl-1,2,4-triazol-3-yl)azepane
CID 64562303
1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole
CID 95566954
N,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine
CID 112597261
3-cyclopentyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole
CID 62722373
5-[(2S,4S)-2-(2-methyltetrazol-5-yl)piperidin-4-yl]-1,2-oxazol-3-one
CID 46937638
5-(3H-diazirin-3-yl)-2-methyltetrazole
CID 131865476

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride?
The IUPAC name of 2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride (CID 155895364) is 2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride.
What is the SMILES notation for 2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride?
The canonical SMILES for 2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride is Cl.Cn1nnc(C2CCCN2)n1.
What is the InChIKey of 2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride?
The InChIKey is UCHVMXIYBCLOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5.ClH/c1-11-9-6(8-10-11)5-3-2-4-7-5;/h5,7H,2-4H2,1H3;1H.
What are the key properties of 2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride?
2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride has a molecular weight of 189.65 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride is sourced from PubChem (CID 155895364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).