N-[(3-methyltriazol-4-yl)-(oxan-2-yl)methyl]ethanamine

C11H20N4O — CID 105043621

IUPACN-[(3-methyltriazol-4-yl)-(oxan-2-yl)methyl]ethanamine
SMILESCCNC(c1cnnn1C)C1CCCCO1
InChIInChI=1S/C11H20N4O/c1-3-12-11(9-8-13-14-15(9)2)10-6-4-5-7-16-10/h8,10-12H,3-7H2,1-2H3
InChIKeyMWAFQICSRZKFHU-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.03
Rot. Bonds4

About N-[(3-methyltriazol-4-yl)-(oxan-2-yl)methyl]ethanamine

N-[(3-methyltriazol-4-yl)-(oxan-2-yl)methyl]ethanamine (PubChem CID 105043621) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[(3-methyltriazol-4-yl)-(oxan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methyltriazol-4-yl)-(oxan-2-yl)methyl]ethanamine
PubChem CID105043621
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[(3-methyltriazol-4-yl)-(oxan-2-yl)methyl]ethanamine
SMILESCCNC(c1cnnn1C)C1CCCCO1
InChIInChI=1S/C11H20N4O/c1-3-12-11(9-8-13-14-15(9)2)10-6-4-5-7-16-10/h8,10-12H,3-7H2,1-2H3
InChIKeyMWAFQICSRZKFHU-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyltriazol-4-yl)-(4-propylmorpholin-2-yl)methyl]ethanamine
CID 114688561
N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 114688035
N-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 107191060
N-[(3-methyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine
CID 114688768
N-[(4,4-dimethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114688067
N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687199
N-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688442
N-[2,3-dihydro-1H-inden-1-yl-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114688144
1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688757
6-[ethylamino(oxan-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62300021
N-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine
CID 115809147
[cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105255052

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyltriazol-4-yl)-(oxan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methyltriazol-4-yl)-(oxan-2-yl)methyl]ethanamine (CID 105043621) is N-[(3-methyltriazol-4-yl)-(oxan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methyltriazol-4-yl)-(oxan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methyltriazol-4-yl)-(oxan-2-yl)methyl]ethanamine is CCNC(c1cnnn1C)C1CCCCO1.
What is the InChIKey of N-[(3-methyltriazol-4-yl)-(oxan-2-yl)methyl]ethanamine?
The InChIKey is MWAFQICSRZKFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-12-11(9-8-13-14-15(9)2)10-6-4-5-7-16-10/h8,10-12H,3-7H2,1-2H3.
What are the key properties of N-[(3-methyltriazol-4-yl)-(oxan-2-yl)methyl]ethanamine?
N-[(3-methyltriazol-4-yl)-(oxan-2-yl)methyl]ethanamine has a molecular weight of 224.31 g/mol, XLogP of 1.03, 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-2-yl)methyl]ethanamine is sourced from PubChem (CID 105043621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).