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

C8H14N4O — CID 65329450

IUPAC2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESNCCc1nc(C2CCOC2)n[nH]1
InChIInChI=1S/C8H14N4O/c9-3-1-7-10-8(12-11-7)6-2-4-13-5-6/h6H,1-5,9H2,(H,10,11,12)
InChIKeyRXHTWKQLQWZLIA-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.19
Rot. Bonds3

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

2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine (PubChem CID 65329450) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine
PubChem CID65329450
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESNCCc1nc(C2CCOC2)n[nH]1
InChIInChI=1S/C8H14N4O/c9-3-1-7-10-8(12-11-7)6-2-4-13-5-6/h6H,1-5,9H2,(H,10,11,12)
InChIKeyRXHTWKQLQWZLIA-UHFFFAOYSA-N
XLogP-0.19
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-(oxan-4-yl)-4H-1,2,4-triazol-3-yl)methanamine hydrochloride
CID 126796183
[5-(oxolan-3-yl)-4H-1,2,4-triazol-3-yl]methanamine
CID 65329448
(5-(Tetrahydro-2h-pyran-4-yl)-4h-1,2,4-triazol-3-yl)methanamine
CID 65335042
2-[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]ethanamine
CID 103150845
2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]ethanamine
CID 103150846
3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 103150848
N-(2-fluoro-3-methoxypropyl)-5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine
CID 154785399
5-(oxolan-3-yl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine
CID 167818037
5-(oxolan-3-yl)-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 167986171
5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine
CID 61278114
3-(tetrahydrofuran-3-yl)-4H-1,2,4-triazole
CID 132090434
5-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole
CID 132090435

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine (CID 65329450) is 2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine is NCCc1nc(C2CCOC2)n[nH]1.
What is the InChIKey of 2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine?
The InChIKey is RXHTWKQLQWZLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c9-3-1-7-10-8(12-11-7)6-2-4-13-5-6/h6H,1-5,9H2,(H,10,11,12).
What are the key properties of 2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine?
2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine has a molecular weight of 182.23 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine is sourced from PubChem (CID 65329450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).