2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)hexanamide

C13H23N5O — CID 104919483

IUPAC2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)hexanamide
SMILESCCCCC(N)C(=O)Nc1nnc(CC)c(CC)n1
InChIInChI=1S/C13H23N5O/c1-4-7-8-9(14)12(19)16-13-15-10(5-2)11(6-3)17-18-13/h9H,4-8,14H2,1-3H3,(H,15,16,18,19)
InChIKeyCORXHBCUNUMPHS-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.45
Rot. Bonds7

About 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)hexanamide

2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)hexanamide (PubChem CID 104919483) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)hexanamide
PubChem CID104919483
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)hexanamide
SMILESCCCCC(N)C(=O)Nc1nnc(CC)c(CC)n1
InChIInChI=1S/C13H23N5O/c1-4-7-8-9(14)12(19)16-13-15-10(5-2)11(6-3)17-18-13/h9H,4-8,14H2,1-3H3,(H,15,16,18,19)
InChIKeyCORXHBCUNUMPHS-UHFFFAOYSA-N
XLogP1.45
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)hexanamide?
The IUPAC name of 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)hexanamide (CID 104919483) is 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)hexanamide.
What is the SMILES notation for 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)hexanamide?
The canonical SMILES for 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)hexanamide is CCCCC(N)C(=O)Nc1nnc(CC)c(CC)n1.
What is the InChIKey of 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)hexanamide?
The InChIKey is CORXHBCUNUMPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-7-8-9(14)12(19)16-13-15-10(5-2)11(6-3)17-18-13/h9H,4-8,14H2,1-3H3,(H,15,16,18,19).
What are the key properties of 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)hexanamide?
2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)hexanamide has a molecular weight of 265.36 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)hexanamide is sourced from PubChem (CID 104919483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).