N-(2-amino-1-cyclohexylethyl)-2-(triazol-1-yl)acetamide

C12H21N5O — CID 81486635

IUPACN-(2-amino-1-cyclohexylethyl)-2-(triazol-1-yl)acetamide
SMILESNCC(NC(=O)Cn1ccnn1)C1CCCCC1
InChIInChI=1S/C12H21N5O/c13-8-11(10-4-2-1-3-5-10)15-12(18)9-17-7-6-14-16-17/h6-7,10-11H,1-5,8-9,13H2,(H,15,18)
InChIKeyXYHLEUWCJHJFSW-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.30
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-2-(triazol-1-yl)acetamide

N-(2-amino-1-cyclohexylethyl)-2-(triazol-1-yl)acetamide (PubChem CID 81486635) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-(triazol-1-yl)acetamide
PubChem CID81486635
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-(triazol-1-yl)acetamide
SMILESNCC(NC(=O)Cn1ccnn1)C1CCCCC1
InChIInChI=1S/C12H21N5O/c13-8-11(10-4-2-1-3-5-10)15-12(18)9-17-7-6-14-16-17/h6-7,10-11H,1-5,8-9,13H2,(H,15,18)
InChIKeyXYHLEUWCJHJFSW-UHFFFAOYSA-N
XLogP0.30
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(triazol-1-yl)acetamide (CID 81486635) is N-(2-amino-1-cyclohexylethyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-(triazol-1-yl)acetamide is NCC(NC(=O)Cn1ccnn1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-(triazol-1-yl)acetamide?
The InChIKey is XYHLEUWCJHJFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c13-8-11(10-4-2-1-3-5-10)15-12(18)9-17-7-6-14-16-17/h6-7,10-11H,1-5,8-9,13H2,(H,15,18).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-(triazol-1-yl)acetamide?
N-(2-amino-1-cyclohexylethyl)-2-(triazol-1-yl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 81486635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).