trans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol

C11H20N4O — CID 102731179

IUPACtrans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol
SMILESCC(N[C@@H]1CCCC[C@H]1O)c1nncn1C
InChIInChI=1S/C11H20N4O/c1-8(11-14-12-7-15(11)2)13-9-5-3-4-6-10(9)16/h7-10,13,16H,3-6H2,1-2H3/t8?,9-,10-/m1/s1
InChIKeyXZGITMNIJVCTIY-VXRWAFEHSA-N
MW224.31 g/mol
LogP0.77
Rot. Bonds3

About trans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol

trans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol (PubChem CID 102731179) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol
PubChem CID102731179
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Nametrans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol
SMILESCC(N[C@@H]1CCCC[C@H]1O)c1nncn1C
InChIInChI=1S/C11H20N4O/c1-8(11-14-12-7-15(11)2)13-9-5-3-4-6-10(9)16/h7-10,13,16H,3-6H2,1-2H3/t8?,9-,10-/m1/s1
InChIKeyXZGITMNIJVCTIY-VXRWAFEHSA-N
XLogP0.77
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine
CID 43703015
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine
CID 79541672
8-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43703170
2,4,4-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine
CID 106661974
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64817909
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine
CID 130683482
1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,3-diamine
CID 79458750
N-[2-(1-methylpiperidin-2-yl)ethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 62415302
1-(cyclopentanecarbonyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
CID 72878892
2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
CID 62364865
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide
CID 43706300
(2R)-2-(propan-2-ylamino)cycloheptan-1-ol
CID 166814951

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol (CID 102731179) is trans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol is CC(N[C@@H]1CCCC[C@H]1O)c1nncn1C.
What is the InChIKey of trans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol?
The InChIKey is XZGITMNIJVCTIY-VXRWAFEHSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(11-14-12-7-15(11)2)13-9-5-3-4-6-10(9)16/h7-10,13,16H,3-6H2,1-2H3/t8?,9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol?
trans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 102731179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).