3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethyl-1,2,4-triazin-3-yl)quinoxalin-2-amine

C24H24Cl2N8 — CID 90039194

IUPAC3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethyl-1,2,4-triazin-3-yl)quinoxalin-2-amine
SMILESCc1nnc(Nc2nc3ccccc3nc2N2CCN(Cc3cc(Cl)ccc3Cl)CC2)nc1C
InChIInChI=1S/C24H24Cl2N8/c1-15-16(2)31-32-24(27-15)30-22-23(29-21-6-4-3-5-20(21)28-22)34-11-9-33(10-12-34)14-17-13-18(25)7-8-19(17)26/h3-8,13H,9-12,14H2,1-2H3,(H,27,28,30,32)
InChIKeyUFEFJGASKLRSMW-UHFFFAOYSA-N
MW495.42 g/mol
LogP4.80
Rot. Bonds5

About 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethyl-1,2,4-triazin-3-yl)quinoxalin-2-amine

3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethyl-1,2,4-triazin-3-yl)quinoxalin-2-amine (PubChem CID 90039194) has the molecular formula C24H24Cl2N8 and a molecular weight of 495.42 g/mol. Its IUPAC name is 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethyl-1,2,4-triazin-3-yl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethyl-1,2,4-triazin-3-yl)quinoxalin-2-amine
PubChem CID90039194
Molecular FormulaC24H24Cl2N8
Molecular Weight495.42 g/mol
Exact Mass494.15
IUPAC Name3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethyl-1,2,4-triazin-3-yl)quinoxalin-2-amine
SMILESCc1nnc(Nc2nc3ccccc3nc2N2CCN(Cc3cc(Cl)ccc3Cl)CC2)nc1C
InChIInChI=1S/C24H24Cl2N8/c1-15-16(2)31-32-24(27-15)30-22-23(29-21-6-4-3-5-20(21)28-22)34-11-9-33(10-12-34)14-17-13-18(25)7-8-19(17)26/h3-8,13H,9-12,14H2,1-2H3,(H,27,28,30,32)
InChIKeyUFEFJGASKLRSMW-UHFFFAOYSA-N
XLogP4.80
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-Chlorophenyl)-4-methyl-8-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]quinoxaline
CID 71153201
N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-fluoroquinoxalin-2-amine
CID 90038708
N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
CID 90038896
3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(3-methoxypropyl)quinoxalin-2-amine
CID 90039415
4-[[3-[4-[(2,5-Dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-yl]amino]benzonitrile
CID 90039926
3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-pyridazin-3-ylquinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 127024764
1-(2,5-Dichloro-phenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 60151104
N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methylquinoxalin-2-amine
CID 166630998
3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethyl-1,2,4-triazin-3-yl)quinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 127024765
6-(3-chloro-4-fluorophenyl)-N-(4-piperazin-1-ylphenyl)-1,2,4-benzotriazin-3-amine
CID 71096226
3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyridin-3-ylquinoxalin-2-amine
CID 90037613
3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-propan-2-ylquinoxalin-2-amine
CID 90037862

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethyl-1,2,4-triazin-3-yl)quinoxalin-2-amine?
The IUPAC name of 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethyl-1,2,4-triazin-3-yl)quinoxalin-2-amine (CID 90039194) is 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethyl-1,2,4-triazin-3-yl)quinoxalin-2-amine.
What is the SMILES notation for 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethyl-1,2,4-triazin-3-yl)quinoxalin-2-amine?
The canonical SMILES for 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethyl-1,2,4-triazin-3-yl)quinoxalin-2-amine is Cc1nnc(Nc2nc3ccccc3nc2N2CCN(Cc3cc(Cl)ccc3Cl)CC2)nc1C.
What is the InChIKey of 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethyl-1,2,4-triazin-3-yl)quinoxalin-2-amine?
The InChIKey is UFEFJGASKLRSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N8/c1-15-16(2)31-32-24(27-15)30-22-23(29-21-6-4-3-5-20(21)28-22)34-11-9-33(10-12-34)14-17-13-18(25)7-8-19(17)26/h3-8,13H,9-12,14H2,1-2H3,(H,27,28,30,32).
What are the key properties of 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethyl-1,2,4-triazin-3-yl)quinoxalin-2-amine?
3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethyl-1,2,4-triazin-3-yl)quinoxalin-2-amine has a molecular weight of 495.42 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethyl-1,2,4-triazin-3-yl)quinoxalin-2-amine is sourced from PubChem (CID 90039194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).