1-(1-methoxy-4-methylcyclohexyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol

C16H29N3O2 — CID 116754610

IUPAC1-(1-methoxy-4-methylcyclohexyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
SMILESCOC1(C(O)Cc2ncnn2CC(C)C)CCC(C)CC1
InChIInChI=1S/C16H29N3O2/c1-12(2)10-19-15(17-11-18-19)9-14(20)16(21-4)7-5-13(3)6-8-16/h11-14,20H,5-10H2,1-4H3
InChIKeyMTPVGUHZJSZGKF-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.43
Rot. Bonds6

About 1-(1-methoxy-4-methylcyclohexyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol

1-(1-methoxy-4-methylcyclohexyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol (PubChem CID 116754610) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(1-methoxy-4-methylcyclohexyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol.

Molecular Properties

Compound Name1-(1-methoxy-4-methylcyclohexyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
PubChem CID116754610
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-(1-methoxy-4-methylcyclohexyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
SMILESCOC1(C(O)Cc2ncnn2CC(C)C)CCC(C)CC1
InChIInChI=1S/C16H29N3O2/c1-12(2)10-19-15(17-11-18-19)9-14(20)16(21-4)7-5-13(3)6-8-16/h11-14,20H,5-10H2,1-4H3
InChIKeyMTPVGUHZJSZGKF-UHFFFAOYSA-N
XLogP2.43
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-methoxy-4-methylcyclohexyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol with MolForge

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Related Compounds

2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-methoxycyclobutyl)ethanol
CID 116710450
1-(1-methoxycyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104610733
4-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylsulfonylmethyl]cyclohexan-1-ol
CID 110005805
1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 116766229
1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 116754998
[1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105277166
2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol
CID 66059154
[1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105277070
3-ethyl-3-methoxy-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol
CID 116752928
2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754421
2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 114931718
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-ol
CID 113362031

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol?
The IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol (CID 116754610) is 1-(1-methoxy-4-methylcyclohexyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol.
What is the SMILES notation for 1-(1-methoxy-4-methylcyclohexyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol?
The canonical SMILES for 1-(1-methoxy-4-methylcyclohexyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol is COC1(C(O)Cc2ncnn2CC(C)C)CCC(C)CC1.
What is the InChIKey of 1-(1-methoxy-4-methylcyclohexyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol?
The InChIKey is MTPVGUHZJSZGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(2)10-19-15(17-11-18-19)9-14(20)16(21-4)7-5-13(3)6-8-16/h11-14,20H,5-10H2,1-4H3.
What are the key properties of 1-(1-methoxy-4-methylcyclohexyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol?
1-(1-methoxy-4-methylcyclohexyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol has a molecular weight of 295.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4-methylcyclohexyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol is sourced from PubChem (CID 116754610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).