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

C11H20N4O — CID 146510348

IUPAC2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide
SMILESCCCCC(C)C(=O)NCCn1cncn1
InChIInChI=1S/C11H20N4O/c1-3-4-5-10(2)11(16)13-6-7-15-9-12-8-14-15/h8-10H,3-7H2,1-2H3,(H,13,16)
InChIKeyYQLUGQFIKBOPCL-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.22
Rot. Bonds7

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

2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide (PubChem CID 146510348) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide
PubChem CID146510348
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide
SMILESCCCCC(C)C(=O)NCCn1cncn1
InChIInChI=1S/C11H20N4O/c1-3-4-5-10(2)11(16)13-6-7-15-9-12-8-14-15/h8-10H,3-7H2,1-2H3,(H,13,16)
InChIKeyYQLUGQFIKBOPCL-UHFFFAOYSA-N
XLogP1.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide?
The IUPAC name of 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide (CID 146510348) is 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide.
What is the SMILES notation for 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide?
The canonical SMILES for 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide is CCCCC(C)C(=O)NCCn1cncn1.
What is the InChIKey of 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide?
The InChIKey is YQLUGQFIKBOPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-4-5-10(2)11(16)13-6-7-15-9-12-8-14-15/h8-10H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide?
2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide has a molecular weight of 224.31 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide is sourced from PubChem (CID 146510348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).