[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine

C8H12N6O — CID 62055902

IUPAC[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine
SMILESCCc1noc(Cn2cc(CN)nn2)n1
InChIInChI=1S/C8H12N6O/c1-2-7-10-8(15-12-7)5-14-4-6(3-9)11-13-14/h4H,2-3,5,9H2,1H3
InChIKeyHRHSEEBGZWPBSA-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.27
Rot. Bonds4

About [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine

[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine (PubChem CID 62055902) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine
PubChem CID62055902
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine
SMILESCCc1noc(Cn2cc(CN)nn2)n1
InChIInChI=1S/C8H12N6O/c1-2-7-10-8(15-12-7)5-14-4-6(3-9)11-13-14/h4H,2-3,5,9H2,1H3
InChIKeyHRHSEEBGZWPBSA-UHFFFAOYSA-N
XLogP-0.27
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine 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-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanol
CID 62399582
5-[[4-(2-chloroethyl)triazol-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 62399895
[1-[[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458336
[1-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458318
[1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458330
[1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 113313968
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
CID 79529452
[1-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458341
[1-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 116703915
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193228
2-amino-N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acetamide
CID 114778448
[1-[[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 107916389

Frequently Asked Questions

What is the IUPAC name of [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine (CID 62055902) is [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine is CCc1noc(Cn2cc(CN)nn2)n1.
What is the InChIKey of [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine?
The InChIKey is HRHSEEBGZWPBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-2-7-10-8(15-12-7)5-14-4-6(3-9)11-13-14/h4H,2-3,5,9H2,1H3.
What are the key properties of [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine?
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine has a molecular weight of 208.22 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 62055902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).