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

C7H10N6O — CID 62792862

IUPAC5-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
SMILESCCCc1noc(-c2nc(N)n[nH]2)n1
InChIInChI=1S/C7H10N6O/c1-2-3-4-9-6(14-13-4)5-10-7(8)12-11-5/h2-3H2,1H3,(H3,8,10,11,12)
InChIKeyMIYREMRXRAMXJQ-UHFFFAOYSA-N
MW194.20 g/mol
LogP0.39
Rot. Bonds3

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

5-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 62792862) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 5-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
PubChem CID62792862
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name5-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
SMILESCCCc1noc(-c2nc(N)n[nH]2)n1
InChIInChI=1S/C7H10N6O/c1-2-3-4-9-6(14-13-4)5-10-7(8)12-11-5/h2-3H2,1H3,(H3,8,10,11,12)
InChIKeyMIYREMRXRAMXJQ-UHFFFAOYSA-N
XLogP0.39
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine (CID 62792862) is 5-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine is CCCc1noc(-c2nc(N)n[nH]2)n1.
What is the InChIKey of 5-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is MIYREMRXRAMXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c1-2-3-4-9-6(14-13-4)5-10-7(8)12-11-5/h2-3H2,1H3,(H3,8,10,11,12).
What are the key properties of 5-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
5-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 194.20 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 62792862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).