N-[oxan-4-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine

C10H18N4O — CID 65360674

IUPACN-[oxan-4-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ncn[nH]1)C1CCOCC1
InChIInChI=1S/C10H18N4O/c1-2-11-9(10-12-7-13-14-10)8-3-5-15-6-4-8/h7-9,11H,2-6H2,1H3,(H,12,13,14)
InChIKeyVUQIUYRXEPYHQJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.88
Rot. Bonds4

About N-[oxan-4-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine

N-[oxan-4-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine (PubChem CID 65360674) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[oxan-4-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[oxan-4-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
PubChem CID65360674
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-[oxan-4-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ncn[nH]1)C1CCOCC1
InChIInChI=1S/C10H18N4O/c1-2-11-9(10-12-7-13-14-10)8-3-5-15-6-4-8/h7-9,11H,2-6H2,1H3,(H,12,13,14)
InChIKeyVUQIUYRXEPYHQJ-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

(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
(5-(Tetrahydro-2h-pyran-4-yl)-4h-1,2,4-triazol-3-yl)methanamine
CID 65335042
1-(oxan-4-yl)-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]propan-2-amine
CID 136571436
N-[[2-(oxan-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 65650815
5-(oxan-4-ylmethyl)-1H-1,2,4-triazole
CID 141026891
5-[1-(oxan-4-yl)ethyl]-1H-1,2,4-triazole
CID 141394418
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-(1-ethylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 54884973
1-(1-propylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 54885020
1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 55211284

Frequently Asked Questions

What is the IUPAC name of N-[oxan-4-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[oxan-4-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine (CID 65360674) is N-[oxan-4-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[oxan-4-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[oxan-4-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine is CCNC(c1ncn[nH]1)C1CCOCC1.
What is the InChIKey of N-[oxan-4-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine?
The InChIKey is VUQIUYRXEPYHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-11-9(10-12-7-13-14-10)8-3-5-15-6-4-8/h7-9,11H,2-6H2,1H3,(H,12,13,14).
What are the key properties of N-[oxan-4-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine?
N-[oxan-4-yl(1H-1,2,4-triazol-5-yl)methyl]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 N-[oxan-4-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 65360674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).