2-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine

C11H11N9 — CID 172619622

IUPAC2-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine
SMILESC=Cc1ccc(Cn2nnc(Nc3nn[nH]n3)n2)cc1
InChIInChI=1S/C11H11N9/c1-2-8-3-5-9(6-4-8)7-20-16-11(15-19-20)12-10-13-17-18-14-10/h2-6H,1,7H2,(H2,12,13,14,16,17,18)
InChIKeyTZNCVCVHPKWYAC-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.62
Rot. Bonds5

About 2-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine

2-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine (PubChem CID 172619622) has the molecular formula C11H11N9 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine.

Molecular Properties

Compound Name2-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine
PubChem CID172619622
Molecular FormulaC11H11N9
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine
SMILESC=Cc1ccc(Cn2nnc(Nc3nn[nH]n3)n2)cc1
InChIInChI=1S/C11H11N9/c1-2-8-3-5-9(6-4-8)7-20-16-11(15-19-20)12-10-13-17-18-14-10/h2-6H,1,7H2,(H2,12,13,14,16,17,18)
InChIKeyTZNCVCVHPKWYAC-UHFFFAOYSA-N
XLogP0.62
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine?
The IUPAC name of 2-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine (CID 172619622) is 2-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine.
What is the SMILES notation for 2-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine?
The canonical SMILES for 2-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine is C=Cc1ccc(Cn2nnc(Nc3nn[nH]n3)n2)cc1.
What is the InChIKey of 2-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine?
The InChIKey is TZNCVCVHPKWYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N9/c1-2-8-3-5-9(6-4-8)7-20-16-11(15-19-20)12-10-13-17-18-14-10/h2-6H,1,7H2,(H2,12,13,14,16,17,18).
What are the key properties of 2-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine?
2-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine has a molecular weight of 269.27 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine is sourced from PubChem (CID 172619622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).