N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)ethanamine

C11H20N4O — CID 103777540

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCCn1cnnc1CNC(C)C1CCOC1
InChIInChI=1S/C11H20N4O/c1-3-15-8-13-14-11(15)6-12-9(2)10-4-5-16-7-10/h8-10,12H,3-7H2,1-2H3
InChIKeyPJXYGRLOVJTJJX-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.81
Rot. Bonds5

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)ethanamine

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 103777540) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)ethanamine
PubChem CID103777540
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCCn1cnnc1CNC(C)C1CCOC1
InChIInChI=1S/C11H20N4O/c1-3-15-8-13-14-11(15)6-12-9(2)10-4-5-16-7-10/h8-10,12H,3-7H2,1-2H3
InChIKeyPJXYGRLOVJTJJX-UHFFFAOYSA-N
XLogP0.81
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 115769824
N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655247
N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655308
1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 115714244
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115684441
1-(1-methylpiperidin-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 54895654
1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 103700538
N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 113260218
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655281
N'-hydroxy-2-[1-(oxolan-3-yl)ethylamino]ethanimidamide
CID 104876942
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]octan-2-amine
CID 103777665

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)ethanamine (CID 103777540) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)ethanamine is CCn1cnnc1CNC(C)C1CCOC1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is PJXYGRLOVJTJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-15-8-13-14-11(15)6-12-9(2)10-4-5-16-7-10/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)ethanamine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 224.31 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 103777540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).