1-(2-prop-2-ynyltetrazol-5-yl)piperidine

C9H13N5 — CID 55220204

IUPAC1-(2-prop-2-ynyltetrazol-5-yl)piperidine
SMILESC#CCn1nnc(N2CCCCC2)n1
InChIInChI=1S/C9H13N5/c1-2-6-14-11-9(10-12-14)13-7-4-3-5-8-13/h1H,3-8H2
InChIKeyLIHISFVUXUGYSM-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.30
Rot. Bonds2

About 1-(2-prop-2-ynyltetrazol-5-yl)piperidine

1-(2-prop-2-ynyltetrazol-5-yl)piperidine (PubChem CID 55220204) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 1-(2-prop-2-ynyltetrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(2-prop-2-ynyltetrazol-5-yl)piperidine
PubChem CID55220204
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name1-(2-prop-2-ynyltetrazol-5-yl)piperidine
SMILESC#CCn1nnc(N2CCCCC2)n1
InChIInChI=1S/C9H13N5/c1-2-6-14-11-9(10-12-14)13-7-4-3-5-8-13/h1H,3-8H2
InChIKeyLIHISFVUXUGYSM-UHFFFAOYSA-N
XLogP0.30
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-ynyltetrazol-5-yl)piperidine?
The IUPAC name of 1-(2-prop-2-ynyltetrazol-5-yl)piperidine (CID 55220204) is 1-(2-prop-2-ynyltetrazol-5-yl)piperidine.
What is the SMILES notation for 1-(2-prop-2-ynyltetrazol-5-yl)piperidine?
The canonical SMILES for 1-(2-prop-2-ynyltetrazol-5-yl)piperidine is C#CCn1nnc(N2CCCCC2)n1.
What is the InChIKey of 1-(2-prop-2-ynyltetrazol-5-yl)piperidine?
The InChIKey is LIHISFVUXUGYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-2-6-14-11-9(10-12-14)13-7-4-3-5-8-13/h1H,3-8H2.
What are the key properties of 1-(2-prop-2-ynyltetrazol-5-yl)piperidine?
1-(2-prop-2-ynyltetrazol-5-yl)piperidine has a molecular weight of 191.24 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-ynyltetrazol-5-yl)piperidine is sourced from PubChem (CID 55220204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).