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

C13H25N5O — CID 106228668

IUPAC2-[4-(1-aminobutyl)triazol-1-yl]-N,N-diethylpropanamide
SMILESCCCC(N)c1cn(C(C)C(=O)N(CC)CC)nn1
InChIInChI=1S/C13H25N5O/c1-5-8-11(14)12-9-18(16-15-12)10(4)13(19)17(6-2)7-3/h9-11H,5-8,14H2,1-4H3
InChIKeyCDGMEVSJVIWFHG-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.51
Rot. Bonds7

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

2-[4-(1-aminobutyl)triazol-1-yl]-N,N-diethylpropanamide (PubChem CID 106228668) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[4-(1-aminobutyl)triazol-1-yl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[4-(1-aminobutyl)triazol-1-yl]-N,N-diethylpropanamide
PubChem CID106228668
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-[4-(1-aminobutyl)triazol-1-yl]-N,N-diethylpropanamide
SMILESCCCC(N)c1cn(C(C)C(=O)N(CC)CC)nn1
InChIInChI=1S/C13H25N5O/c1-5-8-11(14)12-9-18(16-15-12)10(4)13(19)17(6-2)7-3/h9-11H,5-8,14H2,1-4H3
InChIKeyCDGMEVSJVIWFHG-UHFFFAOYSA-N
XLogP1.51
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
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,N-diethylpropanamide?
The IUPAC name of 2-[4-(1-aminobutyl)triazol-1-yl]-N,N-diethylpropanamide (CID 106228668) is 2-[4-(1-aminobutyl)triazol-1-yl]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[4-(1-aminobutyl)triazol-1-yl]-N,N-diethylpropanamide?
The canonical SMILES for 2-[4-(1-aminobutyl)triazol-1-yl]-N,N-diethylpropanamide is CCCC(N)c1cn(C(C)C(=O)N(CC)CC)nn1.
What is the InChIKey of 2-[4-(1-aminobutyl)triazol-1-yl]-N,N-diethylpropanamide?
The InChIKey is CDGMEVSJVIWFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-5-8-11(14)12-9-18(16-15-12)10(4)13(19)17(6-2)7-3/h9-11H,5-8,14H2,1-4H3.
What are the key properties of 2-[4-(1-aminobutyl)triazol-1-yl]-N,N-diethylpropanamide?
2-[4-(1-aminobutyl)triazol-1-yl]-N,N-diethylpropanamide has a molecular weight of 267.38 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 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,N-diethylpropanamide is sourced from PubChem (CID 106228668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).