2-[1-[(1R,2S)-2-aminocyclohexyl]triazol-4-yl]propan-2-ol

C11H20N4O — CID 91654336

IUPAC2-[1-[(1R,2S)-2-aminocyclohexyl]triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn([C@@H]2CCCC[C@@H]2N)nn1
InChIInChI=1S/C11H20N4O/c1-11(2,16)10-7-15(14-13-10)9-6-4-3-5-8(9)12/h7-9,16H,3-6,12H2,1-2H3/t8-,9+/m0/s1
InChIKeyHKBLQTVOWXHXQK-DTWKUNHWSA-N
MW224.31 g/mol
LogP0.95
Rot. Bonds2

About 2-[1-[(1R,2S)-2-aminocyclohexyl]triazol-4-yl]propan-2-ol

2-[1-[(1R,2S)-2-aminocyclohexyl]triazol-4-yl]propan-2-ol (PubChem CID 91654336) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[1-[(1R,2S)-2-aminocyclohexyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(1R,2S)-2-aminocyclohexyl]triazol-4-yl]propan-2-ol
PubChem CID91654336
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[1-[(1R,2S)-2-aminocyclohexyl]triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn([C@@H]2CCCC[C@@H]2N)nn1
InChIInChI=1S/C11H20N4O/c1-11(2,16)10-7-15(14-13-10)9-6-4-3-5-8(9)12/h7-9,16H,3-6,12H2,1-2H3/t8-,9+/m0/s1
InChIKeyHKBLQTVOWXHXQK-DTWKUNHWSA-N
XLogP0.95
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1R,2S)-2-aminocyclohexyl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[(1R,2S)-2-aminocyclohexyl]triazol-4-yl]propan-2-ol (CID 91654336) is 2-[1-[(1R,2S)-2-aminocyclohexyl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[(1R,2S)-2-aminocyclohexyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[(1R,2S)-2-aminocyclohexyl]triazol-4-yl]propan-2-ol is CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2N)nn1.
What is the InChIKey of 2-[1-[(1R,2S)-2-aminocyclohexyl]triazol-4-yl]propan-2-ol?
The InChIKey is HKBLQTVOWXHXQK-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2,16)10-7-15(14-13-10)9-6-4-3-5-8(9)12/h7-9,16H,3-6,12H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of 2-[1-[(1R,2S)-2-aminocyclohexyl]triazol-4-yl]propan-2-ol?
2-[1-[(1R,2S)-2-aminocyclohexyl]triazol-4-yl]propan-2-ol has a molecular weight of 224.31 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1R,2S)-2-aminocyclohexyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 91654336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).