5-(2-prop-2-enyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine

C9H13N5 — CID 58575673

IUPAC5-(2-prop-2-enyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESC=CCn1nnc(C2=CCCNC2)n1
InChIInChI=1S/C9H13N5/c1-2-6-14-12-9(11-13-14)8-4-3-5-10-7-8/h2,4,10H,1,3,5-7H2
InChIKeyFJXLPDZFRZJHOU-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.24
Rot. Bonds3

About 5-(2-prop-2-enyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine

5-(2-prop-2-enyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 58575673) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 5-(2-prop-2-enyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(2-prop-2-enyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
PubChem CID58575673
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name5-(2-prop-2-enyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESC=CCn1nnc(C2=CCCNC2)n1
InChIInChI=1S/C9H13N5/c1-2-6-14-12-9(11-13-14)8-4-3-5-10-7-8/h2,4,10H,1,3,5-7H2
InChIKeyFJXLPDZFRZJHOU-UHFFFAOYSA-N
XLogP0.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-prop-2-enyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(2-prop-2-enyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine (CID 58575673) is 5-(2-prop-2-enyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(2-prop-2-enyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(2-prop-2-enyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine is C=CCn1nnc(C2=CCCNC2)n1.
What is the InChIKey of 5-(2-prop-2-enyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is FJXLPDZFRZJHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-2-6-14-12-9(11-13-14)8-4-3-5-10-7-8/h2,4,10H,1,3,5-7H2.
What are the key properties of 5-(2-prop-2-enyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
5-(2-prop-2-enyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 191.24 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-prop-2-enyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 58575673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).