1-(oxolan-3-yl)-2-(1,2,4-triazol-1-yl)ethanamine

C8H14N4O — CID 104747084

IUPAC1-(oxolan-3-yl)-2-(1,2,4-triazol-1-yl)ethanamine
SMILESNC(Cn1cncn1)C1CCOC1
InChIInChI=1S/C8H14N4O/c9-8(7-1-2-13-4-7)3-12-6-10-5-11-12/h5-8H,1-4,9H2
InChIKeyOTNBSOVLZDJTLB-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.36
Rot. Bonds3

About 1-(oxolan-3-yl)-2-(1,2,4-triazol-1-yl)ethanamine

1-(oxolan-3-yl)-2-(1,2,4-triazol-1-yl)ethanamine (PubChem CID 104747084) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-(1,2,4-triazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-(1,2,4-triazol-1-yl)ethanamine
PubChem CID104747084
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-(oxolan-3-yl)-2-(1,2,4-triazol-1-yl)ethanamine
SMILESNC(Cn1cncn1)C1CCOC1
InChIInChI=1S/C8H14N4O/c9-8(7-1-2-13-4-7)3-12-6-10-5-11-12/h5-8H,1-4,9H2
InChIKeyOTNBSOVLZDJTLB-UHFFFAOYSA-N
XLogP-0.36
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(oxolan-3-yl)-2-(1,2,4-triazol-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(oxolan-3-yl)-2-pyrazol-1-ylethanamine
CID 104747073
2-(5-methylpyrazol-1-yl)-1-(oxolan-3-yl)ethanamine
CID 104747821
(1S)-N-[(1R)-1-(oxan-4-yl)ethyl]-1-phenyl-2-(1,2,4-triazol-1-yl)ethanamine
CID 97231455
5-[2-amino-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104748230
3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104747851
1-[2-amino-2-(oxolan-3-yl)ethyl]pyridin-2-one
CID 104747061
1-(oxolan-3-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 104746984
1,2-bis(oxolan-3-yl)ethanamine
CID 103986754
1-(oxolan-3-yl)butan-1-amine
CID 63564938
1-[2-amino-2-(oxolan-3-yl)ethyl]-4,6-dimethylpyrimidin-2-one
CID 113448371
1-(oxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65330460
2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755787

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-(1,2,4-triazol-1-yl)ethanamine?
The IUPAC name of 1-(oxolan-3-yl)-2-(1,2,4-triazol-1-yl)ethanamine (CID 104747084) is 1-(oxolan-3-yl)-2-(1,2,4-triazol-1-yl)ethanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-2-(1,2,4-triazol-1-yl)ethanamine?
The canonical SMILES for 1-(oxolan-3-yl)-2-(1,2,4-triazol-1-yl)ethanamine is NC(Cn1cncn1)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-2-(1,2,4-triazol-1-yl)ethanamine?
The InChIKey is OTNBSOVLZDJTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c9-8(7-1-2-13-4-7)3-12-6-10-5-11-12/h5-8H,1-4,9H2.
What are the key properties of 1-(oxolan-3-yl)-2-(1,2,4-triazol-1-yl)ethanamine?
1-(oxolan-3-yl)-2-(1,2,4-triazol-1-yl)ethanamine has a molecular weight of 182.23 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-(1,2,4-triazol-1-yl)ethanamine is sourced from PubChem (CID 104747084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).