1-[1-(2-butoxyethyl)-1,2,4-triazol-3-yl]ethanamine

C10H20N4O — CID 105359731

IUPAC1-[1-(2-butoxyethyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCCCCOCCn1cnc(C(C)N)n1
InChIInChI=1S/C10H20N4O/c1-3-4-6-15-7-5-14-8-12-10(13-14)9(2)11/h8-9H,3-7,11H2,1-2H3
InChIKeyFERZHRHLQXFFNX-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.11
Rot. Bonds7

About 1-[1-(2-butoxyethyl)-1,2,4-triazol-3-yl]ethanamine

1-[1-(2-butoxyethyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 105359731) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-[1-(2-butoxyethyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-butoxyethyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID105359731
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name1-[1-(2-butoxyethyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCCCCOCCn1cnc(C(C)N)n1
InChIInChI=1S/C10H20N4O/c1-3-4-6-15-7-5-14-8-12-10(13-14)9(2)11/h8-9H,3-7,11H2,1-2H3
InChIKeyFERZHRHLQXFFNX-UHFFFAOYSA-N
XLogP1.11
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[3-(1-aminoethyl)-1,2,4-triazol-1-yl]ethoxy]ethanol
CID 105359678
1-(1-pentyl-1,2,4-triazol-3-yl)ethanamine
CID 105359592
1-[1-(4-methoxybutyl)-1,2,4-triazol-3-yl]ethanamine
CID 105359686
(1R)-1-[3-(2-butoxyethyl)imidazol-4-yl]ethanamine
CID 104942754
1-[1-(2-butoxyethyl)pyrazol-4-yl]propan-2-amine
CID 62731510
1-[1-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine
CID 105359524
1-(2-butoxyethyl)-3-iodo-4-methylpyrazole
CID 79788109
1-(2-ethoxyethyl)-1,2,4-triazol-3-amine
CID 60911319
1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol
CID 104566990
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-iodopyrazole
CID 104568890
1-[1-(2-butoxyethyl)pyrazol-4-yl]-N-methylethanamine
CID 62731777
4-bromo-1-(2-butoxyethyl)-3-iodopyrazole
CID 79785457

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-butoxyethyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 1-[1-(2-butoxyethyl)-1,2,4-triazol-3-yl]ethanamine (CID 105359731) is 1-[1-(2-butoxyethyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-butoxyethyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 1-[1-(2-butoxyethyl)-1,2,4-triazol-3-yl]ethanamine is CCCCOCCn1cnc(C(C)N)n1.
What is the InChIKey of 1-[1-(2-butoxyethyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is FERZHRHLQXFFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-3-4-6-15-7-5-14-8-12-10(13-14)9(2)11/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 1-[1-(2-butoxyethyl)-1,2,4-triazol-3-yl]ethanamine?
1-[1-(2-butoxyethyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 212.30 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-butoxyethyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 105359731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).