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

C10H18N4O — CID 167912906

IUPACtrans-(1R,2R)-2-[1-(2H-triazol-4-yl)ethylamino]cyclohexan-1-ol
SMILESCC(N[C@@H]1CCCC[C@H]1O)c1cn[nH]n1
InChIInChI=1S/C10H18N4O/c1-7(9-6-11-14-13-9)12-8-4-2-3-5-10(8)15/h6-8,10,12,15H,2-5H2,1H3,(H,11,13,14)/t7?,8-,10-/m1/s1
InChIKeyHFKHIEMDELQXSV-JDOFKEMOSA-N
MW210.28 g/mol
LogP0.76
Rot. Bonds3

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

trans-(1R,2R)-2-[1-(2H-triazol-4-yl)ethylamino]cyclohexan-1-ol (PubChem CID 167912906) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-[1-(2H-triazol-4-yl)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[1-(2H-triazol-4-yl)ethylamino]cyclohexan-1-ol
PubChem CID167912906
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Nametrans-(1R,2R)-2-[1-(2H-triazol-4-yl)ethylamino]cyclohexan-1-ol
SMILESCC(N[C@@H]1CCCC[C@H]1O)c1cn[nH]n1
InChIInChI=1S/C10H18N4O/c1-7(9-6-11-14-13-9)12-8-4-2-3-5-10(8)15/h6-8,10,12,15H,2-5H2,1H3,(H,11,13,14)/t7?,8-,10-/m1/s1
InChIKeyHFKHIEMDELQXSV-JDOFKEMOSA-N
XLogP0.76
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[1-(2H-triazol-4-yl)ethylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[1-(2H-triazol-4-yl)ethylamino]cyclohexan-1-ol (CID 167912906) is trans-(1R,2R)-2-[1-(2H-triazol-4-yl)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[1-(2H-triazol-4-yl)ethylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[1-(2H-triazol-4-yl)ethylamino]cyclohexan-1-ol is CC(N[C@@H]1CCCC[C@H]1O)c1cn[nH]n1.
What is the InChIKey of trans-(1R,2R)-2-[1-(2H-triazol-4-yl)ethylamino]cyclohexan-1-ol?
The InChIKey is HFKHIEMDELQXSV-JDOFKEMOSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(9-6-11-14-13-9)12-8-4-2-3-5-10(8)15/h6-8,10,12,15H,2-5H2,1H3,(H,11,13,14)/t7?,8-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[1-(2H-triazol-4-yl)ethylamino]cyclohexan-1-ol?
trans-(1R,2R)-2-[1-(2H-triazol-4-yl)ethylamino]cyclohexan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[1-(2H-triazol-4-yl)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 167912906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).