3-[3-(2-ethoxybutan-2-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine

C11H22N4O — CID 116779612

IUPAC3-[3-(2-ethoxybutan-2-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine
SMILESCCOC(C)(CC)c1n[nH]c(CCCN)n1
InChIInChI=1S/C11H22N4O/c1-4-11(3,16-5-2)10-13-9(14-15-10)7-6-8-12/h4-8,12H2,1-3H3,(H,13,14,15)
InChIKeySEFFSCVOMQFPSK-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.36
Rot. Bonds7

About 3-[3-(2-ethoxybutan-2-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine

3-[3-(2-ethoxybutan-2-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine (PubChem CID 116779612) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[3-(2-ethoxybutan-2-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(2-ethoxybutan-2-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine
PubChem CID116779612
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name3-[3-(2-ethoxybutan-2-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine
SMILESCCOC(C)(CC)c1n[nH]c(CCCN)n1
InChIInChI=1S/C11H22N4O/c1-4-11(3,16-5-2)10-13-9(14-15-10)7-6-8-12/h4-8,12H2,1-3H3,(H,13,14,15)
InChIKeySEFFSCVOMQFPSK-UHFFFAOYSA-N
XLogP1.36
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-(2-ethoxybutan-2-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(3-ethoxypentan-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 116779606
3-[3-(1-methoxypropyl)-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 116732069
2-ethyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)butan-1-amine
CID 115431364
[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116740577
2-(2-ethoxybutan-2-yl)-5-iodo-6-propylpyrimidin-4-amine
CID 116776658
N-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)ethyl]-3,4-diethoxyaniline
CID 53264692
2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 116779537
3-[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 103150847
ethyl 2-ethyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)butanoate
CID 79471825
3-[3-(2,2-dimethylcyclopropyl)-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 107925887
3-[2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine
CID 116740805
3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116781585

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethoxybutan-2-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine?
The IUPAC name of 3-[3-(2-ethoxybutan-2-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine (CID 116779612) is 3-[3-(2-ethoxybutan-2-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(2-ethoxybutan-2-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[3-(2-ethoxybutan-2-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine is CCOC(C)(CC)c1n[nH]c(CCCN)n1.
What is the InChIKey of 3-[3-(2-ethoxybutan-2-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine?
The InChIKey is SEFFSCVOMQFPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-4-11(3,16-5-2)10-13-9(14-15-10)7-6-8-12/h4-8,12H2,1-3H3,(H,13,14,15).
What are the key properties of 3-[3-(2-ethoxybutan-2-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine?
3-[3-(2-ethoxybutan-2-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine has a molecular weight of 226.32 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethoxybutan-2-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine is sourced from PubChem (CID 116779612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).