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

C13H23N5O — CID 106227686

IUPAC2-[4-(1-aminopropyl)triazol-1-yl]-N-cyclohexylacetamide
SMILESCCC(N)c1cn(CC(=O)NC2CCCCC2)nn1
InChIInChI=1S/C13H23N5O/c1-2-11(14)12-8-18(17-16-12)9-13(19)15-10-6-4-3-5-7-10/h8,10-11H,2-7,9,14H2,1H3,(H,15,19)
InChIKeyUZSNYQDNPGNZEV-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.14
Rot. Bonds5

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

2-[4-(1-aminopropyl)triazol-1-yl]-N-cyclohexylacetamide (PubChem CID 106227686) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-(1-aminopropyl)triazol-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-(1-aminopropyl)triazol-1-yl]-N-cyclohexylacetamide
PubChem CID106227686
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[4-(1-aminopropyl)triazol-1-yl]-N-cyclohexylacetamide
SMILESCCC(N)c1cn(CC(=O)NC2CCCCC2)nn1
InChIInChI=1S/C13H23N5O/c1-2-11(14)12-8-18(17-16-12)9-13(19)15-10-6-4-3-5-7-10/h8,10-11H,2-7,9,14H2,1H3,(H,15,19)
InChIKeyUZSNYQDNPGNZEV-UHFFFAOYSA-N
XLogP1.14
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-aminobutyl)triazol-1-yl]-N-cyclohexylacetamide
CID 106228975
2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide
CID 114420022
2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881
2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 106228496
2-[4-(1-aminopropyl)triazol-1-yl]-1-(azocan-1-yl)ethanone
CID 106227802
1-[2-(cyclohexylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 55134032
N-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide
CID 66215796
2-[4-(1-aminopropyl)triazol-1-yl]-N-(5-bromo-2-pyridinyl)acetamide
CID 106227521
2-[4-(1-aminopropyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 106228504
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 106227951
2-[4-(1-aminopropyl)triazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 106227465

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminopropyl)triazol-1-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-(1-aminopropyl)triazol-1-yl]-N-cyclohexylacetamide (CID 106227686) is 2-[4-(1-aminopropyl)triazol-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-(1-aminopropyl)triazol-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-(1-aminopropyl)triazol-1-yl]-N-cyclohexylacetamide is CCC(N)c1cn(CC(=O)NC2CCCCC2)nn1.
What is the InChIKey of 2-[4-(1-aminopropyl)triazol-1-yl]-N-cyclohexylacetamide?
The InChIKey is UZSNYQDNPGNZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-11(14)12-8-18(17-16-12)9-13(19)15-10-6-4-3-5-7-10/h8,10-11H,2-7,9,14H2,1H3,(H,15,19).
What are the key properties of 2-[4-(1-aminopropyl)triazol-1-yl]-N-cyclohexylacetamide?
2-[4-(1-aminopropyl)triazol-1-yl]-N-cyclohexylacetamide has a molecular weight of 265.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminopropyl)triazol-1-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 106227686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).