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

C9H14N6O — CID 66215430

IUPAC1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]-N-methylmethanamine
SMILESCCc1nc(Cn2cc(CNC)nn2)no1
InChIInChI=1S/C9H14N6O/c1-3-9-11-8(13-16-9)6-15-5-7(4-10-2)12-14-15/h5,10H,3-4,6H2,1-2H3
InChIKeyAJYHDEQBIYZRRU-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.01
Rot. Bonds5

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

1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]-N-methylmethanamine (PubChem CID 66215430) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]-N-methylmethanamine
PubChem CID66215430
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]-N-methylmethanamine
SMILESCCc1nc(Cn2cc(CNC)nn2)no1
InChIInChI=1S/C9H14N6O/c1-3-9-11-8(13-16-9)6-15-5-7(4-10-2)12-14-15/h5,10H,3-4,6H2,1-2H3
InChIKeyAJYHDEQBIYZRRU-UHFFFAOYSA-N
XLogP-0.01
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-3-{2-[4-(1-methyl-1H-imidazol-2-yl)-1H-1,2,3-triazol-1-yl]ethyl}-1,2,4-oxadiazole
CID 72884296
1-(5-isopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-methyl-1H-imidazol-5-yl)methyl]methanamine
CID 56712179
N-[(1-ethyl-1H-imidazol-5-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 91837460
N-ethyl-N'-[(1-ethyl-1H-imidazol-5-yl)methyl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 122561878
[1-[[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 82007867
[1-[[3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 103145911
[1-[[3-[2-(2,2-Difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 103146182
[1-[[3-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 103472467
[1-[[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 113313958
[1-[[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458361
5-[(1S,2S)-2-fluorocyclopropyl]-3-(1-methyltriazol-4-yl)-1,2,4-oxadiazole
CID 167887039
3-[(4-Methyltriazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 117823264

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]-N-methylmethanamine (CID 66215430) is 1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]-N-methylmethanamine is CCc1nc(Cn2cc(CNC)nn2)no1.
What is the InChIKey of 1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]-N-methylmethanamine?
The InChIKey is AJYHDEQBIYZRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-3-9-11-8(13-16-9)6-15-5-7(4-10-2)12-14-15/h5,10H,3-4,6H2,1-2H3.
What are the key properties of 1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]-N-methylmethanamine?
1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]-N-methylmethanamine has a molecular weight of 222.25 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66215430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).