N-(1,3-benzodioxol-5-yl)tetrazolo[1,5-a]quinoxalin-4-amine

C15H10N6O2 — CID 3239576

IUPACN-(1,3-benzodioxol-5-yl)tetrazolo[1,5-a]quinoxalin-4-amine
SMILESc1ccc2c(c1)nc(Nc1ccc3c(c1)OCO3)c1nnnn12
InChIInChI=1S/C15H10N6O2/c1-2-4-11-10(3-1)17-14(15-18-19-20-21(11)15)16-9-5-6-12-13(7-9)23-8-22-12/h1-7H,8H2,(H,16,17)
InChIKeyDLYZCGSZIJESRN-UHFFFAOYSA-N
MW306.29 g/mol
LogP2.14
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)tetrazolo[1,5-a]quinoxalin-4-amine

N-(1,3-benzodioxol-5-yl)tetrazolo[1,5-a]quinoxalin-4-amine (PubChem CID 3239576) has the molecular formula C15H10N6O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)tetrazolo[1,5-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)tetrazolo[1,5-a]quinoxalin-4-amine
PubChem CID3239576
Molecular FormulaC15H10N6O2
Molecular Weight306.29 g/mol
Exact Mass306.09
IUPAC NameN-(1,3-benzodioxol-5-yl)tetrazolo[1,5-a]quinoxalin-4-amine
SMILESc1ccc2c(c1)nc(Nc1ccc3c(c1)OCO3)c1nnnn12
InChIInChI=1S/C15H10N6O2/c1-2-4-11-10(3-1)17-14(15-18-19-20-21(11)15)16-9-5-6-12-13(7-9)23-8-22-12/h1-7H,8H2,(H,16,17)
InChIKeyDLYZCGSZIJESRN-UHFFFAOYSA-N
XLogP2.14
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-Substituted 1-Phenylbenzimidazole 37
CID 5328527
Ethyl-(1-ethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-amine
CID 13385738
1-Ethyl-7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-ylamine
CID 13385828
N-Benzo[1,3]dioxol-5-yl-2-[4-(1H-benzoimidazol-2-yl)-piperidin-1-yl]-acetamide
CID 653489
N-(3,4,5-trimethoxyphenyl)tetrazolo[1,5-a]quinoxalin-4-amine
CID 1511416
N-1,3-benzodioxol-5-yl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2088501
(3-Benzyl-5-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)-(3,4-dimethoxy-phenyl)-amine
CID 3228239
3-(1,3-Benzodioxol-5-yldiazenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-ylamine
CID 7313813
N-(4-ethoxyphenyl)tetrazolo[1,5-a]quinoxalin-4-amine
CID 9550191
N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 9550642
N-(3-methoxyphenyl)tetrazolo[1,5-a]quinoxalin-4-amine
CID 9550895
N4-(4-Methoxyphenyl)-[1,2,4]triazolo[4,3-A]quinoxaline-1,4-diamine
CID 15990168

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)tetrazolo[1,5-a]quinoxalin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)tetrazolo[1,5-a]quinoxalin-4-amine (CID 3239576) is N-(1,3-benzodioxol-5-yl)tetrazolo[1,5-a]quinoxalin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)tetrazolo[1,5-a]quinoxalin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)tetrazolo[1,5-a]quinoxalin-4-amine is c1ccc2c(c1)nc(Nc1ccc3c(c1)OCO3)c1nnnn12.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)tetrazolo[1,5-a]quinoxalin-4-amine?
The InChIKey is DLYZCGSZIJESRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O2/c1-2-4-11-10(3-1)17-14(15-18-19-20-21(11)15)16-9-5-6-12-13(7-9)23-8-22-12/h1-7H,8H2,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)tetrazolo[1,5-a]quinoxalin-4-amine?
N-(1,3-benzodioxol-5-yl)tetrazolo[1,5-a]quinoxalin-4-amine has a molecular weight of 306.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)tetrazolo[1,5-a]quinoxalin-4-amine is sourced from PubChem (CID 3239576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).