4-(1,2,4-triazin-3-yl)-1,2,5-oxadiazol-3-amine

C5H4N6O — CID 98012276

IUPAC4-(1,2,4-triazin-3-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nccnn1
InChIInChI=1S/C5H4N6O/c6-4-3(10-12-11-4)5-7-1-2-8-9-5/h1-2H,(H2,6,11)
InChIKeySYOINIXZGSXKEH-UHFFFAOYSA-N
MW164.13 g/mol
LogP-0.50
Rot. Bonds1

About 4-(1,2,4-triazin-3-yl)-1,2,5-oxadiazol-3-amine

4-(1,2,4-triazin-3-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 98012276) has the molecular formula C5H4N6O and a molecular weight of 164.13 g/mol. Its IUPAC name is 4-(1,2,4-triazin-3-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(1,2,4-triazin-3-yl)-1,2,5-oxadiazol-3-amine
PubChem CID98012276
Molecular FormulaC5H4N6O
Molecular Weight164.13 g/mol
Exact Mass164.04
IUPAC Name4-(1,2,4-triazin-3-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nccnn1
InChIInChI=1S/C5H4N6O/c6-4-3(10-12-11-4)5-7-1-2-8-9-5/h1-2H,(H2,6,11)
InChIKeySYOINIXZGSXKEH-UHFFFAOYSA-N
XLogP-0.50
TPSA103.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-triazin-3-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(1,2,4-triazin-3-yl)-1,2,5-oxadiazol-3-amine (CID 98012276) is 4-(1,2,4-triazin-3-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(1,2,4-triazin-3-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(1,2,4-triazin-3-yl)-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nccnn1.
What is the InChIKey of 4-(1,2,4-triazin-3-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is SYOINIXZGSXKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N6O/c6-4-3(10-12-11-4)5-7-1-2-8-9-5/h1-2H,(H2,6,11).
What are the key properties of 4-(1,2,4-triazin-3-yl)-1,2,5-oxadiazol-3-amine?
4-(1,2,4-triazin-3-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 164.13 g/mol, XLogP of -0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-triazin-3-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 98012276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).