5-(tetrazolo[1,5-a]pyrazin-5-yloxy)quinolin-8-amine

C13H9N7O — CID 116525650

IUPAC5-(tetrazolo[1,5-a]pyrazin-5-yloxy)quinolin-8-amine
SMILESNc1ccc(Oc2cncc3nnnn23)c2cccnc12
InChIInChI=1S/C13H9N7O/c14-9-3-4-10(8-2-1-5-16-13(8)9)21-12-7-15-6-11-17-18-19-20(11)12/h1-7H,14H2
InChIKeyBEUWPZBQHYIWTH-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.44
Rot. Bonds2

About 5-(tetrazolo[1,5-a]pyrazin-5-yloxy)quinolin-8-amine

5-(tetrazolo[1,5-a]pyrazin-5-yloxy)quinolin-8-amine (PubChem CID 116525650) has the molecular formula C13H9N7O and a molecular weight of 279.26 g/mol. Its IUPAC name is 5-(tetrazolo[1,5-a]pyrazin-5-yloxy)quinolin-8-amine.

Molecular Properties

Compound Name5-(tetrazolo[1,5-a]pyrazin-5-yloxy)quinolin-8-amine
PubChem CID116525650
Molecular FormulaC13H9N7O
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name5-(tetrazolo[1,5-a]pyrazin-5-yloxy)quinolin-8-amine
SMILESNc1ccc(Oc2cncc3nnnn23)c2cccnc12
InChIInChI=1S/C13H9N7O/c14-9-3-4-10(8-2-1-5-16-13(8)9)21-12-7-15-6-11-17-18-19-20(11)12/h1-7H,14H2
InChIKeyBEUWPZBQHYIWTH-UHFFFAOYSA-N
XLogP1.44
TPSA104.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(tetrazolo[1,5-a]pyrazin-5-yloxy)phenol
CID 137013323
4-methoxy-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline
CID 102703041
5-(5-chloropyrimidin-2-yl)oxyquinolin-8-amine
CID 116525568
5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine
CID 116525609
5-fluoro-2-methyl-4-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline
CID 114417709
[2-chloro-6-(tetrazolo[1,5-a]pyrazin-5-yloxy)phenyl]methanamine
CID 114323862
5-(2-iodophenoxy)quinolin-8-amine
CID 43479572
5-(4-chlorophenoxy)quinolin-8-amine
CID 43449608
5-(2,4,5-trichlorophenoxy)quinolin-8-amine
CID 43449630
3-(8-aminoquinolin-5-yl)oxybenzamide
CID 43449647
5-(1,2,4-thiadiazol-5-yloxy)quinolin-8-amine
CID 116525595
5-propan-2-yloxyquinolin-8-amine
CID 43449641

Frequently Asked Questions

What is the IUPAC name of 5-(tetrazolo[1,5-a]pyrazin-5-yloxy)quinolin-8-amine?
The IUPAC name of 5-(tetrazolo[1,5-a]pyrazin-5-yloxy)quinolin-8-amine (CID 116525650) is 5-(tetrazolo[1,5-a]pyrazin-5-yloxy)quinolin-8-amine.
What is the SMILES notation for 5-(tetrazolo[1,5-a]pyrazin-5-yloxy)quinolin-8-amine?
The canonical SMILES for 5-(tetrazolo[1,5-a]pyrazin-5-yloxy)quinolin-8-amine is Nc1ccc(Oc2cncc3nnnn23)c2cccnc12.
What is the InChIKey of 5-(tetrazolo[1,5-a]pyrazin-5-yloxy)quinolin-8-amine?
The InChIKey is BEUWPZBQHYIWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N7O/c14-9-3-4-10(8-2-1-5-16-13(8)9)21-12-7-15-6-11-17-18-19-20(11)12/h1-7H,14H2.
What are the key properties of 5-(tetrazolo[1,5-a]pyrazin-5-yloxy)quinolin-8-amine?
5-(tetrazolo[1,5-a]pyrazin-5-yloxy)quinolin-8-amine has a molecular weight of 279.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tetrazolo[1,5-a]pyrazin-5-yloxy)quinolin-8-amine is sourced from PubChem (CID 116525650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).