1-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine

C11H11N9 — CID 172619813

IUPAC1-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine
SMILESC=Cc1ccc(Cn2nnnc2Nc2nn[nH]n2)cc1
InChIInChI=1S/C11H11N9/c1-2-8-3-5-9(6-4-8)7-20-11(15-18-19-20)12-10-13-16-17-14-10/h2-6H,1,7H2,(H2,12,13,14,15,16,17,19)
InChIKeyIUKCESHFQXYRCZ-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.62
Rot. Bonds5

About 1-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine

1-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine (PubChem CID 172619813) has the molecular formula C11H11N9 and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine.

Molecular Properties

Compound Name1-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine
PubChem CID172619813
Molecular FormulaC11H11N9
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name1-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine
SMILESC=Cc1ccc(Cn2nnnc2Nc2nn[nH]n2)cc1
InChIInChI=1S/C11H11N9/c1-2-8-3-5-9(6-4-8)7-20-11(15-18-19-20)12-10-13-16-17-14-10/h2-6H,1,7H2,(H2,12,13,14,15,16,17,19)
InChIKeyIUKCESHFQXYRCZ-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 1-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine?
The IUPAC name of 1-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine (CID 172619813) is 1-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine.
What is the SMILES notation for 1-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine?
The canonical SMILES for 1-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine is C=Cc1ccc(Cn2nnnc2Nc2nn[nH]n2)cc1.
What is the InChIKey of 1-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine?
The InChIKey is IUKCESHFQXYRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N9/c1-2-8-3-5-9(6-4-8)7-20-11(15-18-19-20)12-10-13-16-17-14-10/h2-6H,1,7H2,(H2,12,13,14,15,16,17,19).
What are the key properties of 1-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine?
1-[(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 1-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine is sourced from PubChem (CID 172619813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).