2-(5-quinolin-2-yltetrazol-1-yl)ethanamine

C12H12N6 — CID 63222687

IUPAC2-(5-quinolin-2-yltetrazol-1-yl)ethanamine
SMILESNCCn1nnnc1-c1ccc2ccccc2n1
InChIInChI=1S/C12H12N6/c13-7-8-18-12(15-16-17-18)11-6-5-9-3-1-2-4-10(9)14-11/h1-6H,7-8,13H2
InChIKeyZWVFILCQNWXODG-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.85
Rot. Bonds3

About 2-(5-quinolin-2-yltetrazol-1-yl)ethanamine

2-(5-quinolin-2-yltetrazol-1-yl)ethanamine (PubChem CID 63222687) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-(5-quinolin-2-yltetrazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-quinolin-2-yltetrazol-1-yl)ethanamine
PubChem CID63222687
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name2-(5-quinolin-2-yltetrazol-1-yl)ethanamine
SMILESNCCn1nnnc1-c1ccc2ccccc2n1
InChIInChI=1S/C12H12N6/c13-7-8-18-12(15-16-17-18)11-6-5-9-3-1-2-4-10(9)14-11/h1-6H,7-8,13H2
InChIKeyZWVFILCQNWXODG-UHFFFAOYSA-N
XLogP0.85
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-quinolin-2-yltetrazol-1-yl)propanoic acid
CID 66043212
2-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]ethanamine
CID 79713126
3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine
CID 63555277
2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine
CID 84758899
2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine
CID 107935487
2-(benzotriazol-2-yl)ethanamine
CID 10487202
4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine
CID 106387254
2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]quinoline
CID 115395568
2,4-dimethyl-5-quinolin-2-yl-1,2,4-triazole-3-thione
CID 46238049
2-(4-phenyl-1,2,4-triazol-3-yl)quinoline
CID 115393314
4-propyl-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione
CID 115389712
2-[5-[(2-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine
CID 66052129

Frequently Asked Questions

What is the IUPAC name of 2-(5-quinolin-2-yltetrazol-1-yl)ethanamine?
The IUPAC name of 2-(5-quinolin-2-yltetrazol-1-yl)ethanamine (CID 63222687) is 2-(5-quinolin-2-yltetrazol-1-yl)ethanamine.
What is the SMILES notation for 2-(5-quinolin-2-yltetrazol-1-yl)ethanamine?
The canonical SMILES for 2-(5-quinolin-2-yltetrazol-1-yl)ethanamine is NCCn1nnnc1-c1ccc2ccccc2n1.
What is the InChIKey of 2-(5-quinolin-2-yltetrazol-1-yl)ethanamine?
The InChIKey is ZWVFILCQNWXODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c13-7-8-18-12(15-16-17-18)11-6-5-9-3-1-2-4-10(9)14-11/h1-6H,7-8,13H2.
What are the key properties of 2-(5-quinolin-2-yltetrazol-1-yl)ethanamine?
2-(5-quinolin-2-yltetrazol-1-yl)ethanamine has a molecular weight of 240.27 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-quinolin-2-yltetrazol-1-yl)ethanamine is sourced from PubChem (CID 63222687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).