N-[[6-(5-phenyltetrazol-2-yl)-2-pyridinyl]methyl]ethanamine

C15H16N6 — CID 62295000

IUPACN-[[6-(5-phenyltetrazol-2-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(-n2nnc(-c3ccccc3)n2)n1
InChIInChI=1S/C15H16N6/c1-2-16-11-13-9-6-10-14(17-13)21-19-15(18-20-21)12-7-4-3-5-8-12/h3-10,16H,2,11H2,1H3
InChIKeyASAWQJXFQRZHTG-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.83
Rot. Bonds5

About N-[[6-(5-phenyltetrazol-2-yl)-2-pyridinyl]methyl]ethanamine

N-[[6-(5-phenyltetrazol-2-yl)-2-pyridinyl]methyl]ethanamine (PubChem CID 62295000) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[[6-(5-phenyltetrazol-2-yl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(5-phenyltetrazol-2-yl)-2-pyridinyl]methyl]ethanamine
PubChem CID62295000
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC NameN-[[6-(5-phenyltetrazol-2-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(-n2nnc(-c3ccccc3)n2)n1
InChIInChI=1S/C15H16N6/c1-2-16-11-13-9-6-10-14(17-13)21-19-15(18-20-21)12-7-4-3-5-8-12/h3-10,16H,2,11H2,1H3
InChIKeyASAWQJXFQRZHTG-UHFFFAOYSA-N
XLogP1.83
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(5-phenyltetrazol-2-yl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(5-phenyltetrazol-2-yl)-2-pyridinyl]methyl]ethanamine (CID 62295000) is N-[[6-(5-phenyltetrazol-2-yl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(5-phenyltetrazol-2-yl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(5-phenyltetrazol-2-yl)-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(-n2nnc(-c3ccccc3)n2)n1.
What is the InChIKey of N-[[6-(5-phenyltetrazol-2-yl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is ASAWQJXFQRZHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-2-16-11-13-9-6-10-14(17-13)21-19-15(18-20-21)12-7-4-3-5-8-12/h3-10,16H,2,11H2,1H3.
What are the key properties of N-[[6-(5-phenyltetrazol-2-yl)-2-pyridinyl]methyl]ethanamine?
N-[[6-(5-phenyltetrazol-2-yl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 280.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(5-phenyltetrazol-2-yl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62295000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).