5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine

C12H18N6O — CID 65390558

IUPAC5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESCC1(C)CCC(c2noc(-c3nc(N)n[nH]3)n2)CC1
InChIInChI=1S/C12H18N6O/c1-12(2)5-3-7(4-6-12)8-14-10(19-18-8)9-15-11(13)17-16-9/h7H,3-6H2,1-2H3,(H3,13,15,16,17)
InChIKeyZZRCVZZQPDPMBS-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.12
Rot. Bonds2

About 5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine

5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 65390558) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
PubChem CID65390558
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESCC1(C)CCC(c2noc(-c3nc(N)n[nH]3)n2)CC1
InChIInChI=1S/C12H18N6O/c1-12(2)5-3-7(4-6-12)8-14-10(19-18-8)9-15-11(13)17-16-9/h7H,3-6H2,1-2H3,(H3,13,15,16,17)
InChIKeyZZRCVZZQPDPMBS-UHFFFAOYSA-N
XLogP2.12
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (CID 65390558) is 5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is CC1(C)CCC(c2noc(-c3nc(N)n[nH]3)n2)CC1.
What is the InChIKey of 5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is ZZRCVZZQPDPMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-12(2)5-3-7(4-6-12)8-14-10(19-18-8)9-15-11(13)17-16-9/h7H,3-6H2,1-2H3,(H3,13,15,16,17).
What are the key properties of 5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 262.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 65390558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).