5-[1-(1H-imidazol-5-yl)prop-2-enyl]-2H-tetrazole

C7H8N6 — CID 67833719

IUPAC5-[1-(1H-imidazol-5-yl)prop-2-enyl]-2H-tetrazole
SMILESC=CC(c1nn[nH]n1)c1cnc[nH]1
InChIInChI=1S/C7H8N6/c1-2-5(6-3-8-4-9-6)7-10-12-13-11-7/h2-5H,1H2,(H,8,9)(H,10,11,12,13)
InChIKeyHPULFJXOZWRZFG-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.24
Rot. Bonds3

About 5-[1-(1H-imidazol-5-yl)prop-2-enyl]-2H-tetrazole

5-[1-(1H-imidazol-5-yl)prop-2-enyl]-2H-tetrazole (PubChem CID 67833719) has the molecular formula C7H8N6 and a molecular weight of 176.18 g/mol. Its IUPAC name is 5-[1-(1H-imidazol-5-yl)prop-2-enyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[1-(1H-imidazol-5-yl)prop-2-enyl]-2H-tetrazole
PubChem CID67833719
Molecular FormulaC7H8N6
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name5-[1-(1H-imidazol-5-yl)prop-2-enyl]-2H-tetrazole
SMILESC=CC(c1nn[nH]n1)c1cnc[nH]1
InChIInChI=1S/C7H8N6/c1-2-5(6-3-8-4-9-6)7-10-12-13-11-7/h2-5H,1H2,(H,8,9)(H,10,11,12,13)
InChIKeyHPULFJXOZWRZFG-UHFFFAOYSA-N
XLogP0.24
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.24
H-Bond Donors ≤ 52
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 5-[1-(1H-imidazol-5-yl)prop-2-enyl]-2H-tetrazole?
The IUPAC name of 5-[1-(1H-imidazol-5-yl)prop-2-enyl]-2H-tetrazole (CID 67833719) is 5-[1-(1H-imidazol-5-yl)prop-2-enyl]-2H-tetrazole.
What is the SMILES notation for 5-[1-(1H-imidazol-5-yl)prop-2-enyl]-2H-tetrazole?
The canonical SMILES for 5-[1-(1H-imidazol-5-yl)prop-2-enyl]-2H-tetrazole is C=CC(c1nn[nH]n1)c1cnc[nH]1.
What is the InChIKey of 5-[1-(1H-imidazol-5-yl)prop-2-enyl]-2H-tetrazole?
The InChIKey is HPULFJXOZWRZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6/c1-2-5(6-3-8-4-9-6)7-10-12-13-11-7/h2-5H,1H2,(H,8,9)(H,10,11,12,13).
What are the key properties of 5-[1-(1H-imidazol-5-yl)prop-2-enyl]-2H-tetrazole?
5-[1-(1H-imidazol-5-yl)prop-2-enyl]-2H-tetrazole has a molecular weight of 176.18 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1H-imidazol-5-yl)prop-2-enyl]-2H-tetrazole is sourced from PubChem (CID 67833719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).