1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine

C22H17ClN6 — CID 164611465

IUPAC1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
SMILESCc1nc2ccc(NCc3ccccn3)cc2n2c(-c3ccccc3Cl)nnc12
InChIInChI=1S/C22H17ClN6/c1-14-21-27-28-22(17-7-2-3-8-18(17)23)29(21)20-12-15(9-10-19(20)26-14)25-13-16-6-4-5-11-24-16/h2-12,25H,13H2,1H3
InChIKeyFQQHVQLGJMBSEI-UHFFFAOYSA-N
MW400.87 g/mol
LogP4.91
Rot. Bonds4

About 1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine

1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine (PubChem CID 164611465) has the molecular formula C22H17ClN6 and a molecular weight of 400.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
PubChem CID164611465
Molecular FormulaC22H17ClN6
Molecular Weight400.87 g/mol
Exact Mass400.12
IUPAC Name1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
SMILESCc1nc2ccc(NCc3ccccn3)cc2n2c(-c3ccccc3Cl)nnc12
InChIInChI=1S/C22H17ClN6/c1-14-21-27-28-22(17-7-2-3-8-18(17)23)29(21)20-12-15(9-10-19(20)26-14)25-13-16-6-4-5-11-24-16/h2-12,25H,13H2,1H3
InChIKeyFQQHVQLGJMBSEI-UHFFFAOYSA-N
XLogP4.91
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine with MolForge

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Related Compounds

1-(2-chlorophenyl)-N-(2-methoxyethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
CID 71153354
4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]amino]cyclohexan-1-ol
CID 71520692
1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
CID 71153332
1-(2-chlorophenyl)-8-(1,1-difluoroethoxy)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 71153255
4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine
CID 71153436
N-(1-adamantyl)-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 137349269
1-(2-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153218
2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine
CID 43682641
1-(2-chlorophenyl)-6-fluoro-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 71295682
1-[1-(5-butoxy-2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]ethanamine
CID 90030050
8-chloro-1-(2-chlorophenyl)-3,4-dimethylimidazo[1,5-a]quinoxaline
CID 42629954
4-N-(2,6-dichlorophenyl)-2-methyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873352

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine?
The IUPAC name of 1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine (CID 164611465) is 1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine?
The canonical SMILES for 1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine is Cc1nc2ccc(NCc3ccccn3)cc2n2c(-c3ccccc3Cl)nnc12.
What is the InChIKey of 1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine?
The InChIKey is FQQHVQLGJMBSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6/c1-14-21-27-28-22(17-7-2-3-8-18(17)23)29(21)20-12-15(9-10-19(20)26-14)25-13-16-6-4-5-11-24-16/h2-12,25H,13H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine?
1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine has a molecular weight of 400.87 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine is sourced from PubChem (CID 164611465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).