6-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide

C11H21N5O — CID 43706315

IUPAC6-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide
SMILESCC(NC(=O)CCCCCN)c1nncn1C
InChIInChI=1S/C11H21N5O/c1-9(11-15-13-8-16(11)2)14-10(17)6-4-3-5-7-12/h8-9H,3-7,12H2,1-2H3,(H,14,17)
InChIKeyCHHQVXZXSXKIEK-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.51
Rot. Bonds7

About 6-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide

6-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide (PubChem CID 43706315) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide
PubChem CID43706315
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name6-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide
SMILESCC(NC(=O)CCCCCN)c1nncn1C
InChIInChI=1S/C11H21N5O/c1-9(11-15-13-8-16(11)2)14-10(17)6-4-3-5-7-12/h8-9H,3-7,12H2,1-2H3,(H,14,17)
InChIKeyCHHQVXZXSXKIEK-UHFFFAOYSA-N
XLogP0.51
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide?
The IUPAC name of 6-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide (CID 43706315) is 6-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide.
What is the SMILES notation for 6-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide?
The canonical SMILES for 6-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide is CC(NC(=O)CCCCCN)c1nncn1C.
What is the InChIKey of 6-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide?
The InChIKey is CHHQVXZXSXKIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-9(11-15-13-8-16(11)2)14-10(17)6-4-3-5-7-12/h8-9H,3-7,12H2,1-2H3,(H,14,17).
What are the key properties of 6-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide?
6-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide has a molecular weight of 239.32 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide is sourced from PubChem (CID 43706315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).