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

C10H16N6O2 — CID 115458330

IUPAC[1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
SMILESCCOC(C)c1noc(Cn2cc(CN)nn2)n1
InChIInChI=1S/C10H16N6O2/c1-3-17-7(2)10-12-9(18-14-10)6-16-5-8(4-11)13-15-16/h5,7H,3-4,6,11H2,1-2H3
InChIKeyHXNQIMDQZQLLOJ-UHFFFAOYSA-N
MW252.28 g/mol
LogP0.27
Rot. Bonds6

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

[1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine (PubChem CID 115458330) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is [1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
PubChem CID115458330
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name[1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
SMILESCCOC(C)c1noc(Cn2cc(CN)nn2)n1
InChIInChI=1S/C10H16N6O2/c1-3-17-7(2)10-12-9(18-14-10)6-16-5-8(4-11)13-15-16/h5,7H,3-4,6,11H2,1-2H3
InChIKeyHXNQIMDQZQLLOJ-UHFFFAOYSA-N
XLogP0.27
TPSA104.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[1-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 116703915
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine
CID 62055902
[1-[[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458336
N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66194289
3-(1-ethoxyethyl)-5-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 154749963
2-amino-3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propanoic acid
CID 116734975
[1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 113313968
3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 64540032
3-(1-ethoxyethyl)-5-[[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 166210681
1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 64538990
[1-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458341
3-[(1R)-1-ethoxyethyl]-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 95770468

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine (CID 115458330) is [1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine is CCOC(C)c1noc(Cn2cc(CN)nn2)n1.
What is the InChIKey of [1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine?
The InChIKey is HXNQIMDQZQLLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c1-3-17-7(2)10-12-9(18-14-10)6-16-5-8(4-11)13-15-16/h5,7H,3-4,6,11H2,1-2H3.
What are the key properties of [1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine?
[1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine has a molecular weight of 252.28 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 115458330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).