2-[1-cyclohexyl-5-[1-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide

C14H21N7O — CID 72887213

IUPAC2-[1-cyclohexyl-5-[1-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide
SMILESCC(c1nc(CC(N)=O)nn1C1CCCCC1)n1cncn1
InChIInChI=1S/C14H21N7O/c1-10(20-9-16-8-17-20)14-18-13(7-12(15)22)19-21(14)11-5-3-2-4-6-11/h8-11H,2-7H2,1H3,(H2,15,22)
InChIKeyPTDKELABUQPORZ-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.01
Rot. Bonds5

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

2-[1-cyclohexyl-5-[1-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 72887213) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[1-cyclohexyl-5-[1-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-cyclohexyl-5-[1-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide
PubChem CID72887213
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name2-[1-cyclohexyl-5-[1-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide
SMILESCC(c1nc(CC(N)=O)nn1C1CCCCC1)n1cncn1
InChIInChI=1S/C14H21N7O/c1-10(20-9-16-8-17-20)14-18-13(7-12(15)22)19-21(14)11-5-3-2-4-6-11/h8-11H,2-7H2,1H3,(H2,15,22)
InChIKeyPTDKELABUQPORZ-UHFFFAOYSA-N
XLogP1.01
TPSA104.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclohexyl-5-[1-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-cyclohexyl-5-[1-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide (CID 72887213) is 2-[1-cyclohexyl-5-[1-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-cyclohexyl-5-[1-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-cyclohexyl-5-[1-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide is CC(c1nc(CC(N)=O)nn1C1CCCCC1)n1cncn1.
What is the InChIKey of 2-[1-cyclohexyl-5-[1-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is PTDKELABUQPORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-10(20-9-16-8-17-20)14-18-13(7-12(15)22)19-21(14)11-5-3-2-4-6-11/h8-11H,2-7H2,1H3,(H2,15,22).
What are the key properties of 2-[1-cyclohexyl-5-[1-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide?
2-[1-cyclohexyl-5-[1-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 303.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclohexyl-5-[1-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 72887213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).