methyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazole-3-carboxylate

C9H11N5O3 — CID 78925172

IUPACmethyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazole-3-carboxylate
SMILESCCc1nc(Cn2cnc(C(=O)OC)n2)no1
InChIInChI=1S/C9H11N5O3/c1-3-7-11-6(13-17-7)4-14-5-10-8(12-14)9(15)16-2/h5H,3-4H2,1-2H3
InChIKeyUDZQQTZFCUMCPA-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.06
Rot. Bonds4

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

methyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazole-3-carboxylate (PubChem CID 78925172) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is methyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazole-3-carboxylate
PubChem CID78925172
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Namemethyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazole-3-carboxylate
SMILESCCc1nc(Cn2cnc(C(=O)OC)n2)no1
InChIInChI=1S/C9H11N5O3/c1-3-7-11-6(13-17-7)4-14-5-10-8(12-14)9(15)16-2/h5H,3-4H2,1-2H3
InChIKeyUDZQQTZFCUMCPA-UHFFFAOYSA-N
XLogP0.06
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazole-3-carboxylate with MolForge

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Related Compounds

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
1-(4-ethyl-4H-1,2,4-triazol-3-yl)-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylmethanamine
CID 129608891
3-Methyl-5-(1-propan-2-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 58336917
3-Methyl-5-(2-propan-2-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 58337079
3-Methyl-5-(1-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 89881890
3-Methyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 89881891
Ethane;3-methyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 143899654
5-Ethyl-3-(1-ethyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 146448622

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazole-3-carboxylate?
The IUPAC name of methyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazole-3-carboxylate (CID 78925172) is methyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazole-3-carboxylate.
What is the SMILES notation for methyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazole-3-carboxylate?
The canonical SMILES for methyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazole-3-carboxylate is CCc1nc(Cn2cnc(C(=O)OC)n2)no1.
What is the InChIKey of methyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazole-3-carboxylate?
The InChIKey is UDZQQTZFCUMCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c1-3-7-11-6(13-17-7)4-14-5-10-8(12-14)9(15)16-2/h5H,3-4H2,1-2H3.
What are the key properties of methyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazole-3-carboxylate?
methyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazole-3-carboxylate has a molecular weight of 237.22 g/mol, XLogP of 0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 78925172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).