1-(oxolan-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine

C10H18N4O — CID 106281623

IUPAC1-(oxolan-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
SMILESCC(NC(C)C1CCOC1)c1ncn[nH]1
InChIInChI=1S/C10H18N4O/c1-7(9-3-4-15-5-9)13-8(2)10-11-6-12-14-10/h6-9,13H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyJXLXHVYIKVXIHK-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.88
Rot. Bonds4

About 1-(oxolan-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine

1-(oxolan-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine (PubChem CID 106281623) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
PubChem CID106281623
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-(oxolan-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
SMILESCC(NC(C)C1CCOC1)c1ncn[nH]1
InChIInChI=1S/C10H18N4O/c1-7(9-3-4-15-5-9)13-8(2)10-11-6-12-14-10/h6-9,13H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyJXLXHVYIKVXIHK-UHFFFAOYSA-N
XLogP0.88
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

rac-methyl({[(2R,3R)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl})amine dihydrochloride
CID 132372784
(3S,5S)-1-methyl-5-[3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]pyrrolidin-3-amine
CID 74234861
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxan-4-amine
CID 125440078
N-methyl-1-[(2R,3R)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methanamine
CID 132372785
N-[[2-(oxan-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 65650815
Ethyl-[[2-(oxan-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]azanium
CID 169041733
N-[[2-(oxan-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]ethanamine;hydrochloride
CID 169041862
1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43703258
1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 55211284
1-(oxolan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60977823
4-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-amine
CID 60978743
3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-amine
CID 60978884

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(oxolan-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine (CID 106281623) is 1-(oxolan-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(oxolan-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine is CC(NC(C)C1CCOC1)c1ncn[nH]1.
What is the InChIKey of 1-(oxolan-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The InChIKey is JXLXHVYIKVXIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(9-3-4-15-5-9)13-8(2)10-11-6-12-14-10/h6-9,13H,3-5H2,1-2H3,(H,11,12,14).
What are the key properties of 1-(oxolan-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
1-(oxolan-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine has a molecular weight of 210.28 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 106281623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).