N-[2-(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide

C15H26N4O — CID 72877936

IUPACN-[2-(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCCCn1nc(C2CCCC2)nc1CCNC(C)=O
InChIInChI=1S/C15H26N4O/c1-3-4-11-19-14(9-10-16-12(2)20)17-15(18-19)13-7-5-6-8-13/h13H,3-11H2,1-2H3,(H,16,20)
InChIKeyFNXXDLZVBAJWNJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.41
Rot. Bonds7

About N-[2-(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide

N-[2-(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 72877936) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID72877936
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[2-(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCCCn1nc(C2CCCC2)nc1CCNC(C)=O
InChIInChI=1S/C15H26N4O/c1-3-4-11-19-14(9-10-16-12(2)20)17-15(18-19)13-7-5-6-8-13/h13H,3-11H2,1-2H3,(H,16,20)
InChIKeyFNXXDLZVBAJWNJ-UHFFFAOYSA-N
XLogP2.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 72877936) is N-[2-(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide is CCCCn1nc(C2CCCC2)nc1CCNC(C)=O.
What is the InChIKey of N-[2-(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is FNXXDLZVBAJWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-4-11-19-14(9-10-16-12(2)20)17-15(18-19)13-7-5-6-8-13/h13H,3-11H2,1-2H3,(H,16,20).
What are the key properties of N-[2-(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide?
N-[2-(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 72877936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).