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

C10H14N6O — CID 55115232

IUPAC4-(4-cyclohexyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nncn1C1CCCCC1
InChIInChI=1S/C10H14N6O/c11-9-8(14-17-15-9)10-13-12-6-16(10)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,15)
InChIKeyQANKTAMKJDAJNA-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.42
Rot. Bonds2

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

4-(4-cyclohexyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 55115232) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-(4-cyclohexyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(4-cyclohexyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
PubChem CID55115232
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name4-(4-cyclohexyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nncn1C1CCCCC1
InChIInChI=1S/C10H14N6O/c11-9-8(14-17-15-9)10-13-12-6-16(10)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,15)
InChIKeyQANKTAMKJDAJNA-UHFFFAOYSA-N
XLogP1.42
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(4-cyclohexyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (CID 55115232) is 4-(4-cyclohexyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(4-cyclohexyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(4-cyclohexyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nncn1C1CCCCC1.
What is the InChIKey of 4-(4-cyclohexyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is QANKTAMKJDAJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c11-9-8(14-17-15-9)10-13-12-6-16(10)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,15).
What are the key properties of 4-(4-cyclohexyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
4-(4-cyclohexyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 234.26 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 55115232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).