N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine

C11H20N4O — CID 114688035

IUPACN-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1cnnn1C)C1CCCOC1
InChIInChI=1S/C11H20N4O/c1-3-12-11(9-5-4-6-16-8-9)10-7-13-14-15(10)2/h7,9,11-12H,3-6,8H2,1-2H3
InChIKeyNFNWXHMVWFMWFK-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.89
Rot. Bonds4

About N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine

N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine (PubChem CID 114688035) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine
PubChem CID114688035
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1cnnn1C)C1CCCOC1
InChIInChI=1S/C11H20N4O/c1-3-12-11(9-5-4-6-16-8-9)10-7-13-14-15(10)2/h7,9,11-12H,3-6,8H2,1-2H3
InChIKeyNFNWXHMVWFMWFK-UHFFFAOYSA-N
XLogP0.89
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine
CID 107138704
N-[(4,4-dimethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114688067
N-[(3-methyltriazol-4-yl)-(oxan-2-yl)methyl]ethanamine
CID 105043621
N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 65332421
N-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 107191060
N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine
CID 65332037
N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687199
N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 107139268
N-[(3-methyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine
CID 114688768
N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 65332034
N-[oxan-3-yl-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 107139188
N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 63015763

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine (CID 114688035) is N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine is CCNC(c1cnnn1C)C1CCCOC1.
What is the InChIKey of N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine?
The InChIKey is NFNWXHMVWFMWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-12-11(9-5-4-6-16-8-9)10-7-13-14-15(10)2/h7,9,11-12H,3-6,8H2,1-2H3.
What are the key properties of N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine?
N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine has a molecular weight of 224.31 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 114688035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).