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

C12H20N6O2 — CID 91839323

IUPAC1-(4-ethyl-1,2,4-triazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCCn1cnnc1CN(C)Cc1nc(CCOC)no1
InChIInChI=1S/C12H20N6O2/c1-4-18-9-13-15-11(18)7-17(2)8-12-14-10(16-20-12)5-6-19-3/h9H,4-8H2,1-3H3
InChIKeyQOIAGXCBCACFOR-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.50
Rot. Bonds8

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

1-(4-ethyl-1,2,4-triazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (PubChem CID 91839323) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(4-ethyl-1,2,4-triazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethyl-1,2,4-triazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
PubChem CID91839323
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name1-(4-ethyl-1,2,4-triazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCCn1cnnc1CN(C)Cc1nc(CCOC)no1
InChIInChI=1S/C12H20N6O2/c1-4-18-9-13-15-11(18)7-17(2)8-12-14-10(16-20-12)5-6-19-3/h9H,4-8H2,1-3H3
InChIKeyQOIAGXCBCACFOR-UHFFFAOYSA-N
XLogP0.50
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 53565315
4-[(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 53623887
4-[[3-(2-Methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 53625036
3-(2-Methoxyethyl)-5-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56802652
3-(2-Methoxyethyl)-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56802733
3-(2-methoxyethyl)-5-(4H-1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole
CID 50984138
5-[(3,5-Diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 71974197
Methyl 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazole-3-carboxylate
CID 72017912
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 72114166
1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 118762857
N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)propanamide
CID 124214405
N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(1H-1,2,4-triazol-1-yl)propanamide
CID 124216655

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,2,4-triazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(4-ethyl-1,2,4-triazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (CID 91839323) is 1-(4-ethyl-1,2,4-triazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethyl-1,2,4-triazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(4-ethyl-1,2,4-triazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is CCn1cnnc1CN(C)Cc1nc(CCOC)no1.
What is the InChIKey of 1-(4-ethyl-1,2,4-triazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The InChIKey is QOIAGXCBCACFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-4-18-9-13-15-11(18)7-17(2)8-12-14-10(16-20-12)5-6-19-3/h9H,4-8H2,1-3H3.
What are the key properties of 1-(4-ethyl-1,2,4-triazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
1-(4-ethyl-1,2,4-triazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine has a molecular weight of 280.33 g/mol, XLogP of 0.50, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,2,4-triazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 91839323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).