3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole

C10H17N3O — CID 61337738

IUPAC3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole
SMILESCOCc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C10H17N3O/c1-14-7-9-11-10(13-12-9)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyLHSZLWFVJXXTKX-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.00
Rot. Bonds3

About 3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole

3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole (PubChem CID 61337738) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole
PubChem CID61337738
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole
SMILESCOCc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C10H17N3O/c1-14-7-9-11-10(13-12-9)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyLHSZLWFVJXXTKX-UHFFFAOYSA-N
XLogP2.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
CID 82463437
3-cyclohexyl-5-(propan-2-yloxymethyl)-1H-1,2,4-triazole
CID 112602960
(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol
CID 61338898
3-cyclopentyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazole
CID 112602957
3-cyclohexyl-5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole
CID 103020826
3-cyclohexyl-5-(2-methylpropyl)-1H-1,2,4-triazole
CID 61337747
2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine;hydrochloride
CID 119032101
5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole
CID 103164429
3-cyclohexyl-5-nonyl-1H-1,2,4-triazole
CID 65427882
4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine
CID 79606608
N-(cyclohexylmethyl)-5-(methoxymethyl)-1H-1,2,4-triazol-3-amine
CID 91307779
1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperazine
CID 55058169

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole (CID 61337738) is 3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole is COCc1nc(C2CCCCC2)n[nH]1.
What is the InChIKey of 3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole?
The InChIKey is LHSZLWFVJXXTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-14-7-9-11-10(13-12-9)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,12,13).
What are the key properties of 3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole?
3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole has a molecular weight of 195.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 61337738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).