trans-(1R,2R)-2-[4-(1H-indol-2-yl)triazol-1-yl]cyclohexan-1-ol

C16H18N4O — CID 167991515

IUPACtrans-(1R,2R)-2-[4-(1H-indol-2-yl)triazol-1-yl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1n1cc(-c2cc3ccccc3[nH]2)nn1
InChIInChI=1S/C16H18N4O/c21-16-8-4-3-7-15(16)20-10-14(18-19-20)13-9-11-5-1-2-6-12(11)17-13/h1-2,5-6,9-10,15-17,21H,3-4,7-8H2/t15-,16-/m1/s1
InChIKeyHMCMHSVNXQIKHV-HZPDHXFCSA-N
MW282.35 g/mol
LogP2.90
Rot. Bonds2

About trans-(1R,2R)-2-[4-(1H-indol-2-yl)triazol-1-yl]cyclohexan-1-ol

trans-(1R,2R)-2-[4-(1H-indol-2-yl)triazol-1-yl]cyclohexan-1-ol (PubChem CID 167991515) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-(1H-indol-2-yl)triazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-(1H-indol-2-yl)triazol-1-yl]cyclohexan-1-ol
PubChem CID167991515
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Nametrans-(1R,2R)-2-[4-(1H-indol-2-yl)triazol-1-yl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1n1cc(-c2cc3ccccc3[nH]2)nn1
InChIInChI=1S/C16H18N4O/c21-16-8-4-3-7-15(16)20-10-14(18-19-20)13-9-11-5-1-2-6-12(11)17-13/h1-2,5-6,9-10,15-17,21H,3-4,7-8H2/t15-,16-/m1/s1
InChIKeyHMCMHSVNXQIKHV-HZPDHXFCSA-N
XLogP2.90
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-(1H-indol-2-yl)triazol-1-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[4-(1H-indol-2-yl)triazol-1-yl]cyclohexan-1-ol (CID 167991515) is trans-(1R,2R)-2-[4-(1H-indol-2-yl)triazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[4-(1H-indol-2-yl)triazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[4-(1H-indol-2-yl)triazol-1-yl]cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1n1cc(-c2cc3ccccc3[nH]2)nn1.
What is the InChIKey of trans-(1R,2R)-2-[4-(1H-indol-2-yl)triazol-1-yl]cyclohexan-1-ol?
The InChIKey is HMCMHSVNXQIKHV-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16-8-4-3-7-15(16)20-10-14(18-19-20)13-9-11-5-1-2-6-12(11)17-13/h1-2,5-6,9-10,15-17,21H,3-4,7-8H2/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[4-(1H-indol-2-yl)triazol-1-yl]cyclohexan-1-ol?
trans-(1R,2R)-2-[4-(1H-indol-2-yl)triazol-1-yl]cyclohexan-1-ol has a molecular weight of 282.35 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-(1H-indol-2-yl)triazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 167991515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).