N-ethyl-2-(oxan-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine

C11H20N4O — CID 65360616

IUPACN-ethyl-2-(oxan-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1ncn[nH]1
InChIInChI=1S/C11H20N4O/c1-2-12-10(11-13-8-14-15-11)7-9-3-5-16-6-4-9/h8-10,12H,2-7H2,1H3,(H,13,14,15)
InChIKeyZPQRYMJZLDZQHF-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.27
Rot. Bonds5

About N-ethyl-2-(oxan-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine

N-ethyl-2-(oxan-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 65360616) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-ethyl-2-(oxan-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(oxan-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID65360616
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-ethyl-2-(oxan-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1ncn[nH]1
InChIInChI=1S/C11H20N4O/c1-2-12-10(11-13-8-14-15-11)7-9-3-5-16-6-4-9/h8-10,12H,2-7H2,1H3,(H,13,14,15)
InChIKeyZPQRYMJZLDZQHF-UHFFFAOYSA-N
XLogP1.27
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxan-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-2-(oxan-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 65360616) is N-ethyl-2-(oxan-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(oxan-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(oxan-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine is CCNC(CC1CCOCC1)c1ncn[nH]1.
What is the InChIKey of N-ethyl-2-(oxan-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is ZPQRYMJZLDZQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-12-10(11-13-8-14-15-11)7-9-3-5-16-6-4-9/h8-10,12H,2-7H2,1H3,(H,13,14,15).
What are the key properties of N-ethyl-2-(oxan-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
N-ethyl-2-(oxan-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 224.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxan-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 65360616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).