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

C11H20N4O — CID 136544929

IUPAC1-(2-methyloxolan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCC(NCc1ncn(C)n1)C1(C)CCCO1
InChIInChI=1S/C11H20N4O/c1-9(11(2)5-4-6-16-11)12-7-10-13-8-15(3)14-10/h8-9,12H,4-7H2,1-3H3
InChIKeyUNTNQLYVGSUGOB-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.86
Rot. Bonds4

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

1-(2-methyloxolan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 136544929) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-(2-methyloxolan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-methyloxolan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID136544929
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-(2-methyloxolan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCC(NCc1ncn(C)n1)C1(C)CCCO1
InChIInChI=1S/C11H20N4O/c1-9(11(2)5-4-6-16-11)12-7-10-13-8-15(3)14-10/h8-9,12H,4-7H2,1-3H3
InChIKeyUNTNQLYVGSUGOB-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxolan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(2-methyloxolan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 136544929) is 1-(2-methyloxolan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-methyloxolan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-methyloxolan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is CC(NCc1ncn(C)n1)C1(C)CCCO1.
What is the InChIKey of 1-(2-methyloxolan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is UNTNQLYVGSUGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(11(2)5-4-6-16-11)12-7-10-13-8-15(3)14-10/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 1-(2-methyloxolan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
1-(2-methyloxolan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 224.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 136544929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).