2-(2-propyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

C14H26N4O — CID 105003253

IUPAC2-(2-propyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCCCn1ncnc1CC(N)C1C(C)OC(C)C1C
InChIInChI=1S/C14H26N4O/c1-5-6-18-13(16-8-17-18)7-12(15)14-9(2)10(3)19-11(14)4/h8-12,14H,5-7,15H2,1-4H3
InChIKeyYSWLUUMDBKGNJD-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.62
Rot. Bonds5

About 2-(2-propyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

2-(2-propyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (PubChem CID 105003253) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(2-propyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-propyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
PubChem CID105003253
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-(2-propyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCCCn1ncnc1CC(N)C1C(C)OC(C)C1C
InChIInChI=1S/C14H26N4O/c1-5-6-18-13(16-8-17-18)7-12(15)14-9(2)10(3)19-11(14)4/h8-12,14H,5-7,15H2,1-4H3
InChIKeyYSWLUUMDBKGNJD-UHFFFAOYSA-N
XLogP1.62
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bicyclo[3.1.0]hexanyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003165
N-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine
CID 105002168
1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105002958
4,4,4-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312099
2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 115812625
3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 115816584
1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 115816524
(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
CID 139026277
3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 83138306
4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003205
4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162668
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanamine
CID 114097376

Frequently Asked Questions

What is the IUPAC name of 2-(2-propyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(2-propyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (CID 105003253) is 2-(2-propyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2-propyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2-propyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is CCCn1ncnc1CC(N)C1C(C)OC(C)C1C.
What is the InChIKey of 2-(2-propyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The InChIKey is YSWLUUMDBKGNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-6-18-13(16-8-17-18)7-12(15)14-9(2)10(3)19-11(14)4/h8-12,14H,5-7,15H2,1-4H3.
What are the key properties of 2-(2-propyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
2-(2-propyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine has a molecular weight of 266.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 105003253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).