4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine

C6H8N6O — CID 62807326

IUPAC4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCCc1nc(-c2nonc2N)n[nH]1
InChIInChI=1S/C6H8N6O/c1-2-3-8-6(10-9-3)4-5(7)12-13-11-4/h2H2,1H3,(H2,7,12)(H,8,9,10)
InChIKeyXEZGDQDRRFAGBG-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.00
Rot. Bonds2

About 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine

4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 62807326) has the molecular formula C6H8N6O and a molecular weight of 180.17 g/mol. Its IUPAC name is 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
PubChem CID62807326
Molecular FormulaC6H8N6O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCCc1nc(-c2nonc2N)n[nH]1
InChIInChI=1S/C6H8N6O/c1-2-3-8-6(10-9-3)4-5(7)12-13-11-4/h2H2,1H3,(H2,7,12)(H,8,9,10)
InChIKeyXEZGDQDRRFAGBG-UHFFFAOYSA-N
XLogP-0.00
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (CID 62807326) is 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is CCc1nc(-c2nonc2N)n[nH]1.
What is the InChIKey of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is XEZGDQDRRFAGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O/c1-2-3-8-6(10-9-3)4-5(7)12-13-11-4/h2H2,1H3,(H2,7,12)(H,8,9,10).
What are the key properties of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 180.17 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 62807326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).