6-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylhexanamide

C19H26N6O — CID 135276169

IUPAC6-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylhexanamide
SMILESCc1nnc2c(NCCCCCC(=O)NC(C)C)nc3ccccc3n12
InChIInChI=1S/C19H26N6O/c1-13(2)21-17(26)11-5-4-8-12-20-18-19-24-23-14(3)25(19)16-10-7-6-9-15(16)22-18/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3,(H,20,22)(H,21,26)
InChIKeyVUBBRUNIHSIGJW-UHFFFAOYSA-N
MW354.46 g/mol
LogP3.08
Rot. Bonds8

About 6-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylhexanamide

6-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylhexanamide (PubChem CID 135276169) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 6-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylhexanamide.

Molecular Properties

Compound Name6-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylhexanamide
PubChem CID135276169
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name6-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylhexanamide
SMILESCc1nnc2c(NCCCCCC(=O)NC(C)C)nc3ccccc3n12
InChIInChI=1S/C19H26N6O/c1-13(2)21-17(26)11-5-4-8-12-20-18-19-24-23-14(3)25(19)16-10-7-6-9-15(16)22-18/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3,(H,20,22)(H,21,26)
InChIKeyVUBBRUNIHSIGJW-UHFFFAOYSA-N
XLogP3.08
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylhexanamide 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 6-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylhexanamide?
The IUPAC name of 6-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylhexanamide (CID 135276169) is 6-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylhexanamide.
What is the SMILES notation for 6-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylhexanamide?
The canonical SMILES for 6-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylhexanamide is Cc1nnc2c(NCCCCCC(=O)NC(C)C)nc3ccccc3n12.
What is the InChIKey of 6-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylhexanamide?
The InChIKey is VUBBRUNIHSIGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-13(2)21-17(26)11-5-4-8-12-20-18-19-24-23-14(3)25(19)16-10-7-6-9-15(16)22-18/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3,(H,20,22)(H,21,26).
What are the key properties of 6-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylhexanamide?
6-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylhexanamide has a molecular weight of 354.46 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-N-propan-2-ylhexanamide is sourced from PubChem (CID 135276169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).