1-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol

C16H28N4O2 — CID 95751147

IUPAC1-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol
SMILESCc1nc(C)n(C[C@@H]2CN(CC3(O)CCCCC3)CCO2)n1
InChIInChI=1S/C16H28N4O2/c1-13-17-14(2)20(18-13)11-15-10-19(8-9-22-15)12-16(21)6-4-3-5-7-16/h15,21H,3-12H2,1-2H3/t15-/m0/s1
InChIKeyWHSKRNIYPOXHBF-HNNXBMFYSA-N
MW308.43 g/mol
LogP1.29
Rot. Bonds4

About 1-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol

1-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol (PubChem CID 95751147) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol
PubChem CID95751147
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol
SMILESCc1nc(C)n(C[C@@H]2CN(CC3(O)CCCCC3)CCO2)n1
InChIInChI=1S/C16H28N4O2/c1-13-17-14(2)20(18-13)11-15-10-19(8-9-22-15)12-16(21)6-4-3-5-7-16/h15,21H,3-12H2,1-2H3/t15-/m0/s1
InChIKeyWHSKRNIYPOXHBF-HNNXBMFYSA-N
XLogP1.29
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol (CID 95751147) is 1-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol is Cc1nc(C)n(C[C@@H]2CN(CC3(O)CCCCC3)CCO2)n1.
What is the InChIKey of 1-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol?
The InChIKey is WHSKRNIYPOXHBF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-13-17-14(2)20(18-13)11-15-10-19(8-9-22-15)12-16(21)6-4-3-5-7-16/h15,21H,3-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol?
1-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol has a molecular weight of 308.43 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 95751147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).