5-ethyl-3-(1-propyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole

C9H13N5O — CID 146448721

IUPAC5-ethyl-3-(1-propyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
SMILESCCCn1cnc(-c2noc(CC)n2)n1
InChIInChI=1S/C9H13N5O/c1-3-5-14-6-10-8(12-14)9-11-7(4-2)15-13-9/h6H,3-5H2,1-2H3
InChIKeyJSWBSUQPZJEWSW-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.30
Rot. Bonds4

About 5-ethyl-3-(1-propyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole

5-ethyl-3-(1-propyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole (PubChem CID 146448721) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 5-ethyl-3-(1-propyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-(1-propyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
PubChem CID146448721
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name5-ethyl-3-(1-propyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
SMILESCCCn1cnc(-c2noc(CC)n2)n1
InChIInChI=1S/C9H13N5O/c1-3-5-14-6-10-8(12-14)9-11-7(4-2)15-13-9/h6H,3-5H2,1-2H3
InChIKeyJSWBSUQPZJEWSW-UHFFFAOYSA-N
XLogP1.30
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-Propyl-3-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53570785
5-Propan-2-yl-3-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53577865
5-Tert-butyl-3-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53585732
5-Methyl-3-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53618552
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-amine
CID 56803216
5-Ethyl-3-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72147665
N-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1H-1,2,4-triazol-1-yl)propanamide
CID 46992879
5-[(3,5-Diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 71974197
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 72114166
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
CID 72114175
1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine
CID 77082258
5-propyl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95294929

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(1-propyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-(1-propyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole (CID 146448721) is 5-ethyl-3-(1-propyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-(1-propyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-(1-propyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole is CCCn1cnc(-c2noc(CC)n2)n1.
What is the InChIKey of 5-ethyl-3-(1-propyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is JSWBSUQPZJEWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-3-5-14-6-10-8(12-14)9-11-7(4-2)15-13-9/h6H,3-5H2,1-2H3.
What are the key properties of 5-ethyl-3-(1-propyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole?
5-ethyl-3-(1-propyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 207.24 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(1-propyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 146448721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).