2-[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]ethanamine

C10H20N4O — CID 116732066

IUPAC2-[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESCCOC(c1n[nH]c(CCN)n1)C(C)C
InChIInChI=1S/C10H20N4O/c1-4-15-9(7(2)3)10-12-8(5-6-11)13-14-10/h7,9H,4-6,11H2,1-3H3,(H,12,13,14)
InChIKeyHUDMZXYZTXELMN-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.04
Rot. Bonds6

About 2-[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]ethanamine

2-[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]ethanamine (PubChem CID 116732066) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]ethanamine
PubChem CID116732066
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2-[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESCCOC(c1n[nH]c(CCN)n1)C(C)C
InChIInChI=1S/C10H20N4O/c1-4-15-9(7(2)3)10-12-8(5-6-11)13-14-10/h7,9H,4-6,11H2,1-3H3,(H,12,13,14)
InChIKeyHUDMZXYZTXELMN-UHFFFAOYSA-N
XLogP1.04
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]methanol
CID 116734428
[3-(1-ethoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 64534438
2-[2-(1-ethoxy-2-methylpropyl)-6-methylpyrimidin-4-yl]ethanamine
CID 116731486
[3-(1-ethoxybutyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 116732039
3-[3-(1-methoxypropyl)-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 116732069
(1S,2S)-2-methyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)butan-1-amine
CID 104900412
2-[4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116703127
ethyl 3-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propanoate
CID 167960043
ethyl 5-(2-aminoethyl)-1H-1,2,4-triazole-3-carboxylate
CID 10513155
2-[4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 116703234
1-(5-butyl-1H-1,2,4-triazol-3-yl)ethanamine
CID 79411817
3-pentan-2-yl-5-propyl-1H-1,2,4-triazole
CID 61336337

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]ethanamine (CID 116732066) is 2-[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]ethanamine is CCOC(c1n[nH]c(CCN)n1)C(C)C.
What is the InChIKey of 2-[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The InChIKey is HUDMZXYZTXELMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-4-15-9(7(2)3)10-12-8(5-6-11)13-14-10/h7,9H,4-6,11H2,1-3H3,(H,12,13,14).
What are the key properties of 2-[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]ethanamine?
2-[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]ethanamine has a molecular weight of 212.30 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]ethanamine is sourced from PubChem (CID 116732066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).