[(1S,2R)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol

C11H20N4O — CID 99609979

IUPAC[(1S,2R)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol
SMILESCn1ncnc1CN[C@@H]1CCCC[C@@H]1CO
InChIInChI=1S/C11H20N4O/c1-15-11(13-8-14-15)6-12-10-5-3-2-4-9(10)7-16/h8-10,12,16H,2-7H2,1H3/t9-,10-/m1/s1
InChIKeyUKLQRNJYINVTLA-NXEZZACHSA-N
MW224.31 g/mol
LogP0.46
Rot. Bonds4

About [(1S,2R)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol

[(1S,2R)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol (PubChem CID 99609979) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is [(1S,2R)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol
PubChem CID99609979
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name[(1S,2R)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol
SMILESCn1ncnc1CN[C@@H]1CCCC[C@@H]1CO
InChIInChI=1S/C11H20N4O/c1-15-11(13-8-14-15)6-12-10-5-3-2-4-9(10)7-16/h8-10,12,16H,2-7H2,1H3/t9-,10-/m1/s1
InChIKeyUKLQRNJYINVTLA-NXEZZACHSA-N
XLogP0.46
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1S,2R)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol with MolForge

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Related Compounds

[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol
CID 113442476
[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 81010248
2-(chloromethyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 114179284
[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 103893993
2-(chloromethyl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 106364982
3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 104531281
5-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 106361012
[2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol
CID 109482222
2-methyl-N-[[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81028498
N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine
CID 115689877
(1S)-1-cyclohexyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81384071
[2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol
CID 115655039

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [(1S,2R)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol (CID 99609979) is [(1S,2R)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [(1S,2R)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [(1S,2R)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol is Cn1ncnc1CN[C@@H]1CCCC[C@@H]1CO.
What is the InChIKey of [(1S,2R)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol?
The InChIKey is UKLQRNJYINVTLA-NXEZZACHSA-N. The full InChI is InChI=1S/C11H20N4O/c1-15-11(13-8-14-15)6-12-10-5-3-2-4-9(10)7-16/h8-10,12,16H,2-7H2,1H3/t9-,10-/m1/s1.
What are the key properties of [(1S,2R)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol?
[(1S,2R)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol has a molecular weight of 224.31 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 99609979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).