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

C15H24N6O — CID 128990969

IUPAC[1-[(1R,2S)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol
SMILESCc1nn(C)cc1CN[C@H]1CCCC[C@H]1n1cc(CO)nn1
InChIInChI=1S/C15H24N6O/c1-11-12(8-20(2)18-11)7-16-14-5-3-4-6-15(14)21-9-13(10-22)17-19-21/h8-9,14-16,22H,3-7,10H2,1-2H3/t14-,15+/m0/s1
InChIKeyJXGXQRAJGFVYKL-LSDHHAIUSA-N
MW304.40 g/mol
LogP1.09
Rot. Bonds5

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

[1-[(1R,2S)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol (PubChem CID 128990969) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is [1-[(1R,2S)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(1R,2S)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol
PubChem CID128990969
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name[1-[(1R,2S)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol
SMILESCc1nn(C)cc1CN[C@H]1CCCC[C@H]1n1cc(CO)nn1
InChIInChI=1S/C15H24N6O/c1-11-12(8-20(2)18-11)7-16-14-5-3-4-6-15(14)21-9-13(10-22)17-19-21/h8-9,14-16,22H,3-7,10H2,1-2H3/t14-,15+/m0/s1
InChIKeyJXGXQRAJGFVYKL-LSDHHAIUSA-N
XLogP1.09
TPSA80.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

[2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol
CID 109482222
[1-[(1R,2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol
CID 128972573
[1-[(1R,2S)-2-(1-benzofuran-3-ylmethylamino)cyclohexyl]triazol-4-yl]methanol
CID 154754185
[1-[(1R,2S)-2-[(1-propan-2-yltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]methanol
CID 128996712
[1-[(1R,2S)-2-[(6-methoxy-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]methanol
CID 128996710
[1-[(1R,2S)-2-[[(2S,6R)-2,6-dimethyloxan-4-yl]amino]cyclohexyl]triazol-4-yl]methanol
CID 129324574
[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 103893993
2-[1-[(1R,2S)-2-[(2-methyl-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
CID 128995082
N-[(1S,2R)-2-[4-(hydroxymethyl)triazol-1-yl]cyclohexyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 154754184
(1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 83088566
N-cyclopentyloxy-1-(1,3-dimethylpyrazol-4-yl)methanamine
CID 83229847
N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 112668644

Frequently Asked Questions

What is the IUPAC name of [1-[(1R,2S)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(1R,2S)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol (CID 128990969) is [1-[(1R,2S)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(1R,2S)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(1R,2S)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol is Cc1nn(C)cc1CN[C@H]1CCCC[C@H]1n1cc(CO)nn1.
What is the InChIKey of [1-[(1R,2S)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol?
The InChIKey is JXGXQRAJGFVYKL-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H24N6O/c1-11-12(8-20(2)18-11)7-16-14-5-3-4-6-15(14)21-9-13(10-22)17-19-21/h8-9,14-16,22H,3-7,10H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of [1-[(1R,2S)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol?
[1-[(1R,2S)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol has a molecular weight of 304.40 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1R,2S)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol is sourced from PubChem (CID 128990969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).