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

C11H21N5O — CID 82847987

IUPAC5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide
SMILESCC(N)CCCC(=O)NC(C)c1nncn1C
InChIInChI=1S/C11H21N5O/c1-8(12)5-4-6-10(17)14-9(2)11-15-13-7-16(11)3/h7-9H,4-6,12H2,1-3H3,(H,14,17)
InChIKeyFKHMOJHZMMWFEM-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.51
Rot. Bonds6

About 5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide

5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide (PubChem CID 82847987) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide.

Molecular Properties

Compound Name5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide
PubChem CID82847987
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide
SMILESCC(N)CCCC(=O)NC(C)c1nncn1C
InChIInChI=1S/C11H21N5O/c1-8(12)5-4-6-10(17)14-9(2)11-15-13-7-16(11)3/h7-9H,4-6,12H2,1-3H3,(H,14,17)
InChIKeyFKHMOJHZMMWFEM-UHFFFAOYSA-N
XLogP0.51
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

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Related Compounds

5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 54867804
6-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 54867805
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 60837807
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-sulfanylidenepropanamide
CID 62117174
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide
CID 43706336
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953214
5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 62119604
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 90647818
3,3-dimethyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 62933200
2-(aminomethyl)-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 55038246
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2-propan-2-ylphenyl)acetamide
CID 155960696
2-[4-(aminomethyl)triazol-1-yl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 115459139

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide?
The IUPAC name of 5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide (CID 82847987) is 5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide.
What is the SMILES notation for 5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide?
The canonical SMILES for 5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide is CC(N)CCCC(=O)NC(C)c1nncn1C.
What is the InChIKey of 5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide?
The InChIKey is FKHMOJHZMMWFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-8(12)5-4-6-10(17)14-9(2)11-15-13-7-16(11)3/h7-9H,4-6,12H2,1-3H3,(H,14,17).
What are the key properties of 5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide?
5-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, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide is sourced from PubChem (CID 82847987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).