1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine

C11H20N4O — CID 63740550

IUPAC1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCCOC1)c1nncn1C
InChIInChI=1S/C11H20N4O/c1-9(11-14-13-8-15(11)2)12-6-10-4-3-5-16-7-10/h8-10,12H,3-7H2,1-2H3
InChIKeyFMMDEAXCNZXHKP-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.89
Rot. Bonds4

About 1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine

1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine (PubChem CID 63740550) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine
PubChem CID63740550
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCCOC1)c1nncn1C
InChIInChI=1S/C11H20N4O/c1-9(11-14-13-8-15(11)2)12-6-10-4-3-5-16-7-10/h8-10,12H,3-7H2,1-2H3
InChIKeyFMMDEAXCNZXHKP-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine (CID 63740550) is 1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine is CC(NCC1CCCOC1)c1nncn1C.
What is the InChIKey of 1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine?
The InChIKey is FMMDEAXCNZXHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(11-14-13-8-15(11)2)12-6-10-4-3-5-16-7-10/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine?
1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxan-3-ylmethyl)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 1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine is sourced from PubChem (CID 63740550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).