5-phenyl-1-prop-1-en-2-yltetrazole

C10H10N4 — CID 134890752

IUPAC5-phenyl-1-prop-1-en-2-yltetrazole
SMILESC=C(C)n1nnnc1-c1ccccc1
InChIInChI=1S/C10H10N4/c1-8(2)14-10(11-12-13-14)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InChIKeyZTTMDJJYOSCQGY-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.83
Rot. Bonds2

About 5-phenyl-1-prop-1-en-2-yltetrazole

5-phenyl-1-prop-1-en-2-yltetrazole (PubChem CID 134890752) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 5-phenyl-1-prop-1-en-2-yltetrazole.

Molecular Properties

Compound Name5-phenyl-1-prop-1-en-2-yltetrazole
PubChem CID134890752
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name5-phenyl-1-prop-1-en-2-yltetrazole
SMILESC=C(C)n1nnnc1-c1ccccc1
InChIInChI=1S/C10H10N4/c1-8(2)14-10(11-12-13-14)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InChIKeyZTTMDJJYOSCQGY-UHFFFAOYSA-N
XLogP1.83
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-prop-1-en-2-yltetrazole?
The IUPAC name of 5-phenyl-1-prop-1-en-2-yltetrazole (CID 134890752) is 5-phenyl-1-prop-1-en-2-yltetrazole.
What is the SMILES notation for 5-phenyl-1-prop-1-en-2-yltetrazole?
The canonical SMILES for 5-phenyl-1-prop-1-en-2-yltetrazole is C=C(C)n1nnnc1-c1ccccc1.
What is the InChIKey of 5-phenyl-1-prop-1-en-2-yltetrazole?
The InChIKey is ZTTMDJJYOSCQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-8(2)14-10(11-12-13-14)9-6-4-3-5-7-9/h3-7H,1H2,2H3.
What are the key properties of 5-phenyl-1-prop-1-en-2-yltetrazole?
5-phenyl-1-prop-1-en-2-yltetrazole has a molecular weight of 186.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-prop-1-en-2-yltetrazole is sourced from PubChem (CID 134890752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).