2-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)butanamide

C11H17BrN4O — CID 114387164

IUPAC2-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)butanamide
SMILESCCc1nnc(NC(=O)C(Br)CC)nc1CC
InChIInChI=1S/C11H17BrN4O/c1-4-7(12)10(17)14-11-13-8(5-2)9(6-3)15-16-11/h7H,4-6H2,1-3H3,(H,13,14,16,17)
InChIKeySYVICPNBTOYMLC-UHFFFAOYSA-N
MW301.19 g/mol
LogP2.11
Rot. Bonds5

About 2-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)butanamide

2-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)butanamide (PubChem CID 114387164) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 2-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)butanamide
PubChem CID114387164
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name2-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)butanamide
SMILESCCc1nnc(NC(=O)C(Br)CC)nc1CC
InChIInChI=1S/C11H17BrN4O/c1-4-7(12)10(17)14-11-13-8(5-2)9(6-3)15-16-11/h7H,4-6H2,1-3H3,(H,13,14,16,17)
InChIKeySYVICPNBTOYMLC-UHFFFAOYSA-N
XLogP2.11
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 114387585
2-[(5,6-Diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
CID 103095305
(2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide
CID 104919477
(2S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide
CID 104919479
2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)hexanamide
CID 104919483
(2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide
CID 104919484
(2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide
CID 104919485
(2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpentanamide
CID 104919486
(2S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpentanamide
CID 104919487
(2S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide
CID 104919489
(2S,3S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpentanamide
CID 104919490
(2S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide
CID 104919491

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)butanamide?
The IUPAC name of 2-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)butanamide (CID 114387164) is 2-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)butanamide.
What is the SMILES notation for 2-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)butanamide?
The canonical SMILES for 2-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)butanamide is CCc1nnc(NC(=O)C(Br)CC)nc1CC.
What is the InChIKey of 2-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)butanamide?
The InChIKey is SYVICPNBTOYMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-4-7(12)10(17)14-11-13-8(5-2)9(6-3)15-16-11/h7H,4-6H2,1-3H3,(H,13,14,16,17).
What are the key properties of 2-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)butanamide?
2-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)butanamide has a molecular weight of 301.19 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)butanamide is sourced from PubChem (CID 114387164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).