1-(1-phenylethyl)tetrazol-5-amine

C9H11N5 — CID 19981424

IUPAC1-(1-phenylethyl)tetrazol-5-amine
SMILESCC(c1ccccc1)n1nnnc1N
InChIInChI=1S/C9H11N5/c1-7(8-5-3-2-4-6-8)14-9(10)11-12-13-14/h2-7H,1H3,(H2,10,11,13)
InChIKeyYXSWJSCWHHTLML-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.86
Rot. Bonds2

About 1-(1-phenylethyl)tetrazol-5-amine

1-(1-phenylethyl)tetrazol-5-amine (PubChem CID 19981424) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-(1-phenylethyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(1-phenylethyl)tetrazol-5-amine
PubChem CID19981424
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name1-(1-phenylethyl)tetrazol-5-amine
SMILESCC(c1ccccc1)n1nnnc1N
InChIInChI=1S/C9H11N5/c1-7(8-5-3-2-4-6-8)14-9(10)11-12-13-14/h2-7H,1H3,(H2,10,11,13)
InChIKeyYXSWJSCWHHTLML-UHFFFAOYSA-N
XLogP0.86
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)tetrazol-5-amine?
The IUPAC name of 1-(1-phenylethyl)tetrazol-5-amine (CID 19981424) is 1-(1-phenylethyl)tetrazol-5-amine.
What is the SMILES notation for 1-(1-phenylethyl)tetrazol-5-amine?
The canonical SMILES for 1-(1-phenylethyl)tetrazol-5-amine is CC(c1ccccc1)n1nnnc1N.
What is the InChIKey of 1-(1-phenylethyl)tetrazol-5-amine?
The InChIKey is YXSWJSCWHHTLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-7(8-5-3-2-4-6-8)14-9(10)11-12-13-14/h2-7H,1H3,(H2,10,11,13).
What are the key properties of 1-(1-phenylethyl)tetrazol-5-amine?
1-(1-phenylethyl)tetrazol-5-amine has a molecular weight of 189.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)tetrazol-5-amine is sourced from PubChem (CID 19981424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).