7-chloro-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C15H10ClN5 — CID 10085894

IUPAC7-chloro-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESClc1ccc2c(c1)nc(Nc1ccccc1)c1nncn12
InChIInChI=1S/C15H10ClN5/c16-10-6-7-13-12(8-10)19-14(15-20-17-9-21(13)15)18-11-4-2-1-3-5-11/h1-9H,(H,18,19)
InChIKeyKGIXDAHUOVOIGN-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.67
Rot. Bonds2

About 7-chloro-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

7-chloro-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 10085894) has the molecular formula C15H10ClN5 and a molecular weight of 295.73 g/mol. Its IUPAC name is 7-chloro-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name7-chloro-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID10085894
Molecular FormulaC15H10ClN5
Molecular Weight295.73 g/mol
Exact Mass295.06
IUPAC Name7-chloro-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESClc1ccc2c(c1)nc(Nc1ccccc1)c1nncn12
InChIInChI=1S/C15H10ClN5/c16-10-6-7-13-12(8-10)19-14(15-20-17-9-21(13)15)18-11-4-2-1-3-5-11/h1-9H,(H,18,19)
InChIKeyKGIXDAHUOVOIGN-UHFFFAOYSA-N
XLogP3.67
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431320
8-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 20880203
N-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 20880171
N-[(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 3745187
N-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide
CID 22432664
N-(1-benzylpiperidin-4-yl)-8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 20889066
8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431418
N-(2-chloro-4-methylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431325
N-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431373
5-chloro-N-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine
CID 167327358
N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5295767
propyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoate
CID 20880184

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 7-chloro-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 10085894) is 7-chloro-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 7-chloro-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 7-chloro-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Clc1ccc2c(c1)nc(Nc1ccccc1)c1nncn12.
What is the InChIKey of 7-chloro-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is KGIXDAHUOVOIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5/c16-10-6-7-13-12(8-10)19-14(15-20-17-9-21(13)15)18-11-4-2-1-3-5-11/h1-9H,(H,18,19).
What are the key properties of 7-chloro-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
7-chloro-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 295.73 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 10085894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).