2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide

C12H21N5O — CID 114420022

IUPAC2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide
SMILESCC(N)c1cn(CC(=O)NC2CCCCC2)nn1
InChIInChI=1S/C12H21N5O/c1-9(13)11-7-17(16-15-11)8-12(18)14-10-5-3-2-4-6-10/h7,9-10H,2-6,8,13H2,1H3,(H,14,18)
InChIKeyHZOBLADZRDGIKQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.75
Rot. Bonds4

About 2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide

2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide (PubChem CID 114420022) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide
PubChem CID114420022
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide
SMILESCC(N)c1cn(CC(=O)NC2CCCCC2)nn1
InChIInChI=1S/C12H21N5O/c1-9(13)11-7-17(16-15-11)8-12(18)14-10-5-3-2-4-6-10/h7,9-10H,2-6,8,13H2,1H3,(H,14,18)
InChIKeyHZOBLADZRDGIKQ-UHFFFAOYSA-N
XLogP0.75
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide (CID 114420022) is 2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide is CC(N)c1cn(CC(=O)NC2CCCCC2)nn1.
What is the InChIKey of 2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide?
The InChIKey is HZOBLADZRDGIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9(13)11-7-17(16-15-11)8-12(18)14-10-5-3-2-4-6-10/h7,9-10H,2-6,8,13H2,1H3,(H,14,18).
What are the key properties of 2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide?
2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide has a molecular weight of 251.33 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 114420022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).