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

C7H10N6O — CID 62808225

IUPAC4-(4-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCCCn1cnnc1-c1nonc1N
InChIInChI=1S/C7H10N6O/c1-2-3-13-4-9-10-7(13)5-6(8)12-14-11-5/h4H,2-3H2,1H3,(H2,8,12)
InChIKeyNLJIXYRUYGVZMR-UHFFFAOYSA-N
MW194.20 g/mol
LogP0.32
Rot. Bonds3

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

4-(4-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 62808225) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 4-(4-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(4-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
PubChem CID62808225
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name4-(4-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCCCn1cnnc1-c1nonc1N
InChIInChI=1S/C7H10N6O/c1-2-3-13-4-9-10-7(13)5-6(8)12-14-11-5/h4H,2-3H2,1H3,(H2,8,12)
InChIKeyNLJIXYRUYGVZMR-UHFFFAOYSA-N
XLogP0.32
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(4-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (CID 62808225) is 4-(4-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(4-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(4-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is CCCn1cnnc1-c1nonc1N.
What is the InChIKey of 4-(4-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is NLJIXYRUYGVZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c1-2-3-13-4-9-10-7(13)5-6(8)12-14-11-5/h4H,2-3H2,1H3,(H2,8,12).
What are the key properties of 4-(4-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
4-(4-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 194.20 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 62808225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).