5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylpentanamide

C18H24N6O — CID 135276168

IUPAC5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylpentanamide
SMILESCc1nnc2c(NCCCCC(=O)NC(C)C)nc3ccccc3n12
InChIInChI=1S/C18H24N6O/c1-12(2)20-16(25)10-6-7-11-19-17-18-23-22-13(3)24(18)15-9-5-4-8-14(15)21-17/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,19,21)(H,20,25)
InChIKeyJJECOZSEDLNTON-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.69
Rot. Bonds7

About 5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylpentanamide

5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylpentanamide (PubChem CID 135276168) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylpentanamide
PubChem CID135276168
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylpentanamide
SMILESCc1nnc2c(NCCCCC(=O)NC(C)C)nc3ccccc3n12
InChIInChI=1S/C18H24N6O/c1-12(2)20-16(25)10-6-7-11-19-17-18-23-22-13(3)24(18)15-9-5-4-8-14(15)21-17/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,19,21)(H,20,25)
InChIKeyJJECOZSEDLNTON-UHFFFAOYSA-N
XLogP2.69
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylpentanamide with MolForge

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Related Compounds

N-Benzyl-4-Methyl-1-Phenyl[1,2,4]triazolo[4,3-A]quinoxaline-8-Carboxamide
CID 71153223
N-cyclohexyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 802045
Diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl-amine
CID 654516
N-butan-2-yl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 3583535
2-[4-(1-Methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-piperazin-1-yl]-ethanol
CID 2997492
1-methyl-N-propyl[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 6621843
N-(2-piperidin-1-ylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 16194131
N-(2-methoxyethyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 20880195
1-methyl-N-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22520069
N-cyclopentyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 899185
1-ethyl-N,N-dimethyl[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 899295
1-Ethyl-N-phenyl[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 3163515

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylpentanamide?
The IUPAC name of 5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylpentanamide (CID 135276168) is 5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylpentanamide.
What is the SMILES notation for 5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylpentanamide?
The canonical SMILES for 5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylpentanamide is Cc1nnc2c(NCCCCC(=O)NC(C)C)nc3ccccc3n12.
What is the InChIKey of 5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylpentanamide?
The InChIKey is JJECOZSEDLNTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12(2)20-16(25)10-6-7-11-19-17-18-23-22-13(3)24(18)15-9-5-4-8-14(15)21-17/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,19,21)(H,20,25).
What are the key properties of 5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylpentanamide?
5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylpentanamide has a molecular weight of 340.43 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylpentanamide is sourced from PubChem (CID 135276168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).