2-[5-(4-phenyloxan-4-yl)tetrazol-1-yl]ethanamine

C14H19N5O — CID 63081707

IUPAC2-[5-(4-phenyloxan-4-yl)tetrazol-1-yl]ethanamine
SMILESNCCn1nnnc1C1(c2ccccc2)CCOCC1
InChIInChI=1S/C14H19N5O/c15-8-9-19-13(16-17-18-19)14(6-10-20-11-7-14)12-4-2-1-3-5-12/h1-5H,6-11,15H2
InChIKeyRJPQUNZQOCTLNI-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.73
Rot. Bonds4

About 2-[5-(4-phenyloxan-4-yl)tetrazol-1-yl]ethanamine

2-[5-(4-phenyloxan-4-yl)tetrazol-1-yl]ethanamine (PubChem CID 63081707) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[5-(4-phenyloxan-4-yl)tetrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-phenyloxan-4-yl)tetrazol-1-yl]ethanamine
PubChem CID63081707
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[5-(4-phenyloxan-4-yl)tetrazol-1-yl]ethanamine
SMILESNCCn1nnnc1C1(c2ccccc2)CCOCC1
InChIInChI=1S/C14H19N5O/c15-8-9-19-13(16-17-18-19)14(6-10-20-11-7-14)12-4-2-1-3-5-12/h1-5H,6-11,15H2
InChIKeyRJPQUNZQOCTLNI-UHFFFAOYSA-N
XLogP0.73
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-phenyloxan-4-yl)tetrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-(4-phenyloxan-4-yl)tetrazol-1-yl]ethanamine (CID 63081707) is 2-[5-(4-phenyloxan-4-yl)tetrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-phenyloxan-4-yl)tetrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-(4-phenyloxan-4-yl)tetrazol-1-yl]ethanamine is NCCn1nnnc1C1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-[5-(4-phenyloxan-4-yl)tetrazol-1-yl]ethanamine?
The InChIKey is RJPQUNZQOCTLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c15-8-9-19-13(16-17-18-19)14(6-10-20-11-7-14)12-4-2-1-3-5-12/h1-5H,6-11,15H2.
What are the key properties of 2-[5-(4-phenyloxan-4-yl)tetrazol-1-yl]ethanamine?
2-[5-(4-phenyloxan-4-yl)tetrazol-1-yl]ethanamine has a molecular weight of 273.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-phenyloxan-4-yl)tetrazol-1-yl]ethanamine is sourced from PubChem (CID 63081707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).