5-(4-ethenylphenyl)-2-methyltetrazole

C10H10N4 — CID 594003

IUPAC5-(4-ethenylphenyl)-2-methyltetrazole
SMILESC=Cc1ccc(-c2nnn(C)n2)cc1
InChIInChI=1S/C10H10N4/c1-3-8-4-6-9(7-5-8)10-11-13-14(2)12-10/h3-7H,1H2,2H3
InChIKeyRAPBLXIJQCCPLL-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.52
Rot. Bonds2

About 5-(4-ethenylphenyl)-2-methyltetrazole

5-(4-ethenylphenyl)-2-methyltetrazole (PubChem CID 594003) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 5-(4-ethenylphenyl)-2-methyltetrazole.

Molecular Properties

Compound Name5-(4-ethenylphenyl)-2-methyltetrazole
PubChem CID594003
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name5-(4-ethenylphenyl)-2-methyltetrazole
SMILESC=Cc1ccc(-c2nnn(C)n2)cc1
InChIInChI=1S/C10H10N4/c1-3-8-4-6-9(7-5-8)10-11-13-14(2)12-10/h3-7H,1H2,2H3
InChIKeyRAPBLXIJQCCPLL-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethenylphenyl)-2-methyltetrazole?
The IUPAC name of 5-(4-ethenylphenyl)-2-methyltetrazole (CID 594003) is 5-(4-ethenylphenyl)-2-methyltetrazole.
What is the SMILES notation for 5-(4-ethenylphenyl)-2-methyltetrazole?
The canonical SMILES for 5-(4-ethenylphenyl)-2-methyltetrazole is C=Cc1ccc(-c2nnn(C)n2)cc1.
What is the InChIKey of 5-(4-ethenylphenyl)-2-methyltetrazole?
The InChIKey is RAPBLXIJQCCPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-3-8-4-6-9(7-5-8)10-11-13-14(2)12-10/h3-7H,1H2,2H3.
What are the key properties of 5-(4-ethenylphenyl)-2-methyltetrazole?
5-(4-ethenylphenyl)-2-methyltetrazole has a molecular weight of 186.22 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethenylphenyl)-2-methyltetrazole is sourced from PubChem (CID 594003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).