1-prop-2-enyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine

C9H13N5 — CID 82365237

IUPAC1-prop-2-enyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESC=CCN1CCC=C(c2nn[nH]n2)C1
InChIInChI=1S/C9H13N5/c1-2-5-14-6-3-4-8(7-14)9-10-12-13-11-9/h2,4H,1,3,5-7H2,(H,10,11,12,13)
InChIKeyHZXQXCIXEHGCSH-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.47
Rot. Bonds3

About 1-prop-2-enyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine

1-prop-2-enyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine (PubChem CID 82365237) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 1-prop-2-enyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-prop-2-enyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
PubChem CID82365237
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name1-prop-2-enyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESC=CCN1CCC=C(c2nn[nH]n2)C1
InChIInChI=1S/C9H13N5/c1-2-5-14-6-3-4-8(7-14)9-10-12-13-11-9/h2,4H,1,3,5-7H2,(H,10,11,12,13)
InChIKeyHZXQXCIXEHGCSH-UHFFFAOYSA-N
XLogP0.47
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-prop-2-enyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-prop-2-enyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine (CID 82365237) is 1-prop-2-enyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-prop-2-enyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-prop-2-enyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine is C=CCN1CCC=C(c2nn[nH]n2)C1.
What is the InChIKey of 1-prop-2-enyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is HZXQXCIXEHGCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-2-5-14-6-3-4-8(7-14)9-10-12-13-11-9/h2,4H,1,3,5-7H2,(H,10,11,12,13).
What are the key properties of 1-prop-2-enyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
1-prop-2-enyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 191.24 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 82365237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).