3-(1-methoxy-3-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one

C10H17N3O2 — CID 137017886

IUPAC3-(1-methoxy-3-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCOC1(c2n[nH]c(=O)[nH]2)CCCC(C)C1
InChIInChI=1S/C10H17N3O2/c1-7-4-3-5-10(6-7,15-2)8-11-9(14)13-12-8/h7H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyYSPSTZNKXQLGGK-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.15
Rot. Bonds2

About 3-(1-methoxy-3-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one

3-(1-methoxy-3-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137017886) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(1-methoxy-3-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(1-methoxy-3-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137017886
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(1-methoxy-3-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCOC1(c2n[nH]c(=O)[nH]2)CCCC(C)C1
InChIInChI=1S/C10H17N3O2/c1-7-4-3-5-10(6-7,15-2)8-11-9(14)13-12-8/h7H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyYSPSTZNKXQLGGK-UHFFFAOYSA-N
XLogP1.15
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Methyloxan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136288562
3-(1-Methoxy-4-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017882
3-(1-Ethoxy-4-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017883
3-(1-Methoxycycloheptyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017885
3-(1-Ethoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017888
3-(1-Ethoxy-3-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017892
3-(1-Methoxy-4,4-dimethylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017893
3-(1-Ethoxy-4,4-dimethylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017896
3-[Cyclohexyl(methoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137017897
3-(1-Methoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017899

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxy-3-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(1-methoxy-3-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 137017886) is 3-(1-methoxy-3-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(1-methoxy-3-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(1-methoxy-3-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one is COC1(c2n[nH]c(=O)[nH]2)CCCC(C)C1.
What is the InChIKey of 3-(1-methoxy-3-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is YSPSTZNKXQLGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-4-3-5-10(6-7,15-2)8-11-9(14)13-12-8/h7H,3-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 3-(1-methoxy-3-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(1-methoxy-3-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 211.26 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxy-3-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137017886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).