[3-[cyclohexyl(methoxy)methyl]-1H-1,2,4-triazol-5-yl]methanol

C11H19N3O2 — CID 116782477

IUPAC[3-[cyclohexyl(methoxy)methyl]-1H-1,2,4-triazol-5-yl]methanol
SMILESCOC(c1n[nH]c(CO)n1)C1CCCCC1
InChIInChI=1S/C11H19N3O2/c1-16-10(8-5-3-2-4-6-8)11-12-9(7-15)13-14-11/h8,10,15H,2-7H2,1H3,(H,12,13,14)
InChIKeyOQWYHOCBPHXZKH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.56
Rot. Bonds4

About [3-[cyclohexyl(methoxy)methyl]-1H-1,2,4-triazol-5-yl]methanol

[3-[cyclohexyl(methoxy)methyl]-1H-1,2,4-triazol-5-yl]methanol (PubChem CID 116782477) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is [3-[cyclohexyl(methoxy)methyl]-1H-1,2,4-triazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[cyclohexyl(methoxy)methyl]-1H-1,2,4-triazol-5-yl]methanol
PubChem CID116782477
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name[3-[cyclohexyl(methoxy)methyl]-1H-1,2,4-triazol-5-yl]methanol
SMILESCOC(c1n[nH]c(CO)n1)C1CCCCC1
InChIInChI=1S/C11H19N3O2/c1-16-10(8-5-3-2-4-6-8)11-12-9(7-15)13-14-11/h8,10,15H,2-7H2,1H3,(H,12,13,14)
InChIKeyOQWYHOCBPHXZKH-UHFFFAOYSA-N
XLogP1.56
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(chloromethyl)-3-[cyclohexyl(methoxy)methyl]-1H-1,2,4-triazole
CID 116782495
[2-[cyclohexyl(methoxy)methyl]pyrimidin-5-yl]methanol
CID 116779001
1-amino-1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116743520
2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116781447
4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine
CID 116745974
3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine
CID 116743450
N-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 116778665
3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106527287
1-[2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]propan-2-amine
CID 116779150
4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodo-6-(2-methylpropyl)pyrimidine
CID 116746394
3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116743548
2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine
CID 116775559

Frequently Asked Questions

What is the IUPAC name of [3-[cyclohexyl(methoxy)methyl]-1H-1,2,4-triazol-5-yl]methanol?
The IUPAC name of [3-[cyclohexyl(methoxy)methyl]-1H-1,2,4-triazol-5-yl]methanol (CID 116782477) is [3-[cyclohexyl(methoxy)methyl]-1H-1,2,4-triazol-5-yl]methanol.
What is the SMILES notation for [3-[cyclohexyl(methoxy)methyl]-1H-1,2,4-triazol-5-yl]methanol?
The canonical SMILES for [3-[cyclohexyl(methoxy)methyl]-1H-1,2,4-triazol-5-yl]methanol is COC(c1n[nH]c(CO)n1)C1CCCCC1.
What is the InChIKey of [3-[cyclohexyl(methoxy)methyl]-1H-1,2,4-triazol-5-yl]methanol?
The InChIKey is OQWYHOCBPHXZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-16-10(8-5-3-2-4-6-8)11-12-9(7-15)13-14-11/h8,10,15H,2-7H2,1H3,(H,12,13,14).
What are the key properties of [3-[cyclohexyl(methoxy)methyl]-1H-1,2,4-triazol-5-yl]methanol?
[3-[cyclohexyl(methoxy)methyl]-1H-1,2,4-triazol-5-yl]methanol has a molecular weight of 225.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[cyclohexyl(methoxy)methyl]-1H-1,2,4-triazol-5-yl]methanol is sourced from PubChem (CID 116782477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).