N-(4-propan-2-ylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine

C17H16N6 — CID 22431503

IUPACN-(4-propan-2-ylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine
SMILESCC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19)
InChIKeyAGAFBFBLFFSDKG-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.54
Rot. Bonds3

About N-(4-propan-2-ylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine

N-(4-propan-2-ylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine (PubChem CID 22431503) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine
PubChem CID22431503
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC NameN-(4-propan-2-ylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine
SMILESCC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19)
InChIKeyAGAFBFBLFFSDKG-UHFFFAOYSA-N
XLogP3.54
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine?
The IUPAC name of N-(4-propan-2-ylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine (CID 22431503) is N-(4-propan-2-ylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine.
What is the SMILES notation for N-(4-propan-2-ylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine?
The canonical SMILES for N-(4-propan-2-ylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine is CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine?
The InChIKey is AGAFBFBLFFSDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-(4-propan-2-ylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine?
N-(4-propan-2-ylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine has a molecular weight of 304.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine is sourced from PubChem (CID 22431503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).