N,N-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C15H19N5 — CID 102059594

IUPACN,N-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCC(C)N(c1nc2ccccc2n2cnnc12)C(C)C
InChIInChI=1S/C15H19N5/c1-10(2)20(11(3)4)14-15-18-16-9-19(15)13-8-6-5-7-12(13)17-14/h5-11H,1-4H3
InChIKeyLROSVOPLOHDNBK-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.90
Rot. Bonds3

About N,N-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

N,N-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 102059594) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID102059594
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN,N-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCC(C)N(c1nc2ccccc2n2cnnc12)C(C)C
InChIInChI=1S/C15H19N5/c1-10(2)20(11(3)4)14-15-18-16-9-19(15)13-8-6-5-7-12(13)17-14/h5-11H,1-4H3
InChIKeyLROSVOPLOHDNBK-UHFFFAOYSA-N
XLogP2.90
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide
CID 13385787
4-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 6460812
N-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 6619923
N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 6622885
4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 7677782
N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5295767
N-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 20880171
N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431320
4-(3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 5307993
4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 7304641
ethyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)benzoate
CID 53125790
4-[(3R)-3-methyl-4-(4-methylphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxaline
CID 92512556

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N,N-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 102059594) is N,N-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N,N-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N,N-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CC(C)N(c1nc2ccccc2n2cnnc12)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is LROSVOPLOHDNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-10(2)20(11(3)4)14-15-18-16-9-19(15)13-8-6-5-7-12(13)17-14/h5-11H,1-4H3.
What are the key properties of N,N-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N,N-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 102059594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).