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

C9H15N3O2 — CID 137017899

IUPAC3-(1-methoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCOC1(c2n[nH]c(=O)[nH]2)CCCCC1
InChIInChI=1S/C9H15N3O2/c1-14-9(5-3-2-4-6-9)7-10-8(13)12-11-7/h2-6H2,1H3,(H2,10,11,12,13)
InChIKeyKCCGZUUDAQJOID-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.90
Rot. Bonds2

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

3-(1-methoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137017899) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(1-methoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(1-methoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137017899
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(1-methoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCOC1(c2n[nH]c(=O)[nH]2)CCCCC1
InChIInChI=1S/C9H15N3O2/c1-14-9(5-3-2-4-6-9)7-10-8(13)12-11-7/h2-6H2,1H3,(H2,10,11,12,13)
InChIKeyKCCGZUUDAQJOID-UHFFFAOYSA-N
XLogP0.90
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.90
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-Methoxycyclopentyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136773867
3-(3-Methoxypentan-3-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017880
3-(1-Ethoxycyclopentyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017881
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-Methoxy-3-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017886
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-Ethoxycycloheptyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017895

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(1-methoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 137017899) is 3-(1-methoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(1-methoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(1-methoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one is COC1(c2n[nH]c(=O)[nH]2)CCCCC1.
What is the InChIKey of 3-(1-methoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is KCCGZUUDAQJOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-14-9(5-3-2-4-6-9)7-10-8(13)12-11-7/h2-6H2,1H3,(H2,10,11,12,13).
What are the key properties of 3-(1-methoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(1-methoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 197.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137017899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).