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

C14H25N5O — CID 106228975

IUPAC2-[4-(1-aminobutyl)triazol-1-yl]-N-cyclohexylacetamide
SMILESCCCC(N)c1cn(CC(=O)NC2CCCCC2)nn1
InChIInChI=1S/C14H25N5O/c1-2-6-12(15)13-9-19(18-17-13)10-14(20)16-11-7-4-3-5-8-11/h9,11-12H,2-8,10,15H2,1H3,(H,16,20)
InChIKeyKKYQHDSSXNZKDO-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.53
Rot. Bonds6

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

2-[4-(1-aminobutyl)triazol-1-yl]-N-cyclohexylacetamide (PubChem CID 106228975) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[4-(1-aminobutyl)triazol-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-(1-aminobutyl)triazol-1-yl]-N-cyclohexylacetamide
PubChem CID106228975
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[4-(1-aminobutyl)triazol-1-yl]-N-cyclohexylacetamide
SMILESCCCC(N)c1cn(CC(=O)NC2CCCCC2)nn1
InChIInChI=1S/C14H25N5O/c1-2-6-12(15)13-9-19(18-17-13)10-14(20)16-11-7-4-3-5-8-11/h9,11-12H,2-8,10,15H2,1H3,(H,16,20)
InChIKeyKKYQHDSSXNZKDO-UHFFFAOYSA-N
XLogP1.53
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminobutyl)triazol-1-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-(1-aminobutyl)triazol-1-yl]-N-cyclohexylacetamide (CID 106228975) is 2-[4-(1-aminobutyl)triazol-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-(1-aminobutyl)triazol-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-(1-aminobutyl)triazol-1-yl]-N-cyclohexylacetamide is CCCC(N)c1cn(CC(=O)NC2CCCCC2)nn1.
What is the InChIKey of 2-[4-(1-aminobutyl)triazol-1-yl]-N-cyclohexylacetamide?
The InChIKey is KKYQHDSSXNZKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-2-6-12(15)13-9-19(18-17-13)10-14(20)16-11-7-4-3-5-8-11/h9,11-12H,2-8,10,15H2,1H3,(H,16,20).
What are the key properties of 2-[4-(1-aminobutyl)triazol-1-yl]-N-cyclohexylacetamide?
2-[4-(1-aminobutyl)triazol-1-yl]-N-cyclohexylacetamide has a molecular weight of 279.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminobutyl)triazol-1-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 106228975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).