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

C13H24N4O — CID 138583477

IUPAC2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide
SMILESCCCCC(CCC)C(=O)NCCn1cncn1
InChIInChI=1S/C13H24N4O/c1-3-5-7-12(6-4-2)13(18)15-8-9-17-11-14-10-16-17/h10-12H,3-9H2,1-2H3,(H,15,18)
InChIKeyCRZDGIFOZVSHBH-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.00
Rot. Bonds9

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

2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide (PubChem CID 138583477) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide.

Molecular Properties

Compound Name2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide
PubChem CID138583477
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide
SMILESCCCCC(CCC)C(=O)NCCn1cncn1
InChIInChI=1S/C13H24N4O/c1-3-5-7-12(6-4-2)13(18)15-8-9-17-11-14-10-16-17/h10-12H,3-9H2,1-2H3,(H,15,18)
InChIKeyCRZDGIFOZVSHBH-UHFFFAOYSA-N
XLogP2.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide?
The IUPAC name of 2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide (CID 138583477) is 2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide.
What is the SMILES notation for 2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide?
The canonical SMILES for 2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide is CCCCC(CCC)C(=O)NCCn1cncn1.
What is the InChIKey of 2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide?
The InChIKey is CRZDGIFOZVSHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-5-7-12(6-4-2)13(18)15-8-9-17-11-14-10-16-17/h10-12H,3-9H2,1-2H3,(H,15,18).
What are the key properties of 2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide?
2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide has a molecular weight of 252.36 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide is sourced from PubChem (CID 138583477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).