2-(2-methyltetrazol-5-yl)-1-quinolin-2-ylethanamine

C13H14N6 — CID 107049175

IUPAC2-(2-methyltetrazol-5-yl)-1-quinolin-2-ylethanamine
SMILESCn1nnc(CC(N)c2ccc3ccccc3n2)n1
InChIInChI=1S/C13H14N6/c1-19-17-13(16-18-19)8-10(14)12-7-6-9-4-2-3-5-11(9)15-12/h2-7,10H,8,14H2,1H3
InChIKeyXLEVLLNKIFSXIH-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.00
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-quinolin-2-ylethanamine

2-(2-methyltetrazol-5-yl)-1-quinolin-2-ylethanamine (PubChem CID 107049175) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-quinolin-2-ylethanamine.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-quinolin-2-ylethanamine
PubChem CID107049175
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name2-(2-methyltetrazol-5-yl)-1-quinolin-2-ylethanamine
SMILESCn1nnc(CC(N)c2ccc3ccccc3n2)n1
InChIInChI=1S/C13H14N6/c1-19-17-13(16-18-19)8-10(14)12-7-6-9-4-2-3-5-11(9)15-12/h2-7,10H,8,14H2,1H3
InChIKeyXLEVLLNKIFSXIH-UHFFFAOYSA-N
XLogP1.00
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-fluoro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050206
2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107064971
(1S)-1-quinolin-2-ylpropan-1-amine;hydrochloride
CID 171236572
2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 107048810
1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048405
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107047811
1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064809
(1S)-1-quinolin-2-ylethanamine;hydrochloride
CID 171236571
1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine
CID 107064725
(1R)-1-quinolin-2-ylbutane-1,4-diamine
CID 171216930
(1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine
CID 171314038
(1S)-1-quinolin-2-ylbutane-1,4-diamine
CID 171236567

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-quinolin-2-ylethanamine?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-quinolin-2-ylethanamine (CID 107049175) is 2-(2-methyltetrazol-5-yl)-1-quinolin-2-ylethanamine.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-quinolin-2-ylethanamine?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-quinolin-2-ylethanamine is Cn1nnc(CC(N)c2ccc3ccccc3n2)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-quinolin-2-ylethanamine?
The InChIKey is XLEVLLNKIFSXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-19-17-13(16-18-19)8-10(14)12-7-6-9-4-2-3-5-11(9)15-12/h2-7,10H,8,14H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-quinolin-2-ylethanamine?
2-(2-methyltetrazol-5-yl)-1-quinolin-2-ylethanamine has a molecular weight of 254.30 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-quinolin-2-ylethanamine is sourced from PubChem (CID 107049175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).