5-pyrrolidin-2-yl-2H-tetrazol-3-ium-3-amine

C5H11N6+ — CID 163502869

IUPAC5-pyrrolidin-2-yl-2H-tetrazol-3-ium-3-amine
SMILESN[n+]1nc(C2CCCN2)n[nH]1
InChIInChI=1S/C5H10N6/c6-11-9-5(8-10-11)4-2-1-3-7-4/h4,7H,1-3,6H2/p+1
InChIKeyCWFGJJRWSULKQH-UHFFFAOYSA-O
MW155.18 g/mol
LogP-1.77
Rot. Bonds1

About 5-pyrrolidin-2-yl-2H-tetrazol-3-ium-3-amine

5-pyrrolidin-2-yl-2H-tetrazol-3-ium-3-amine (PubChem CID 163502869) has the molecular formula C5H11N6+ and a molecular weight of 155.18 g/mol. Its IUPAC name is 5-pyrrolidin-2-yl-2H-tetrazol-3-ium-3-amine.

Molecular Properties

Compound Name5-pyrrolidin-2-yl-2H-tetrazol-3-ium-3-amine
PubChem CID163502869
Molecular FormulaC5H11N6+
Molecular Weight155.18 g/mol
Exact Mass155.10
IUPAC Name5-pyrrolidin-2-yl-2H-tetrazol-3-ium-3-amine
SMILESN[n+]1nc(C2CCCN2)n[nH]1
InChIInChI=1S/C5H10N6/c6-11-9-5(8-10-11)4-2-1-3-7-4/h4,7H,1-3,6H2/p+1
InChIKeyCWFGJJRWSULKQH-UHFFFAOYSA-O
XLogP-1.77
TPSA83.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-pyrrolidin-2-yl-1,2,4-thiadiazol-5-amine
CID 82412366
5-pyrrolidin-2-yl-2H-tetrazole;hydrochloride
CID 42962676
cesium;hydride;5-[(2R)-pyrrolidin-2-yl]-2H-tetrazole
CID 173085630
sodium;hydride;5-pyrrolidin-2-yl-2H-tetrazole
CID 173085880
4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride
CID 155895891
N,N-dimethyl-2-(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
CID 82568286
3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 84664294
2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride
CID 155895364
6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55274090
5-fluoro-2-[(2S)-pyrrolidin-2-yl]pyridine
CID 55277524
5-[(4-fluorophenyl)methyl]-3-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 16677923
3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 136589176

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-yl-2H-tetrazol-3-ium-3-amine?
The IUPAC name of 5-pyrrolidin-2-yl-2H-tetrazol-3-ium-3-amine (CID 163502869) is 5-pyrrolidin-2-yl-2H-tetrazol-3-ium-3-amine.
What is the SMILES notation for 5-pyrrolidin-2-yl-2H-tetrazol-3-ium-3-amine?
The canonical SMILES for 5-pyrrolidin-2-yl-2H-tetrazol-3-ium-3-amine is N[n+]1nc(C2CCCN2)n[nH]1.
What is the InChIKey of 5-pyrrolidin-2-yl-2H-tetrazol-3-ium-3-amine?
The InChIKey is CWFGJJRWSULKQH-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H10N6/c6-11-9-5(8-10-11)4-2-1-3-7-4/h4,7H,1-3,6H2/p+1.
What are the key properties of 5-pyrrolidin-2-yl-2H-tetrazol-3-ium-3-amine?
5-pyrrolidin-2-yl-2H-tetrazol-3-ium-3-amine has a molecular weight of 155.18 g/mol, XLogP of -1.77, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-yl-2H-tetrazol-3-ium-3-amine is sourced from PubChem (CID 163502869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).