[1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazol-4-yl]methanol

C13H23N3O — CID 130274480

IUPAC[1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazol-4-yl]methanol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1n1cc(CO)nn1
InChIInChI=1S/C13H23N3O/c1-9(2)12-5-4-10(3)6-13(12)16-7-11(8-17)14-15-16/h7,9-10,12-13,17H,4-6,8H2,1-3H3/t10-,12+,13-/m1/s1
InChIKeyCZMOAPLOUQOQMW-KGYLQXTDSA-N
MW237.35 g/mol
LogP2.40
Rot. Bonds3

About [1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazol-4-yl]methanol

[1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazol-4-yl]methanol (PubChem CID 130274480) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazol-4-yl]methanol
PubChem CID130274480
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazol-4-yl]methanol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1n1cc(CO)nn1
InChIInChI=1S/C13H23N3O/c1-9(2)12-5-4-10(3)6-13(12)16-7-11(8-17)14-15-16/h7,9-10,12-13,17H,4-6,8H2,1-3H3/t10-,12+,13-/m1/s1
InChIKeyCZMOAPLOUQOQMW-KGYLQXTDSA-N
XLogP2.40
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazol-4-yl]methanol (CID 130274480) is [1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazol-4-yl]methanol is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1n1cc(CO)nn1.
What is the InChIKey of [1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazol-4-yl]methanol?
The InChIKey is CZMOAPLOUQOQMW-KGYLQXTDSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)12-5-4-10(3)6-13(12)16-7-11(8-17)14-15-16/h7,9-10,12-13,17H,4-6,8H2,1-3H3/t10-,12+,13-/m1/s1.
What are the key properties of [1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazol-4-yl]methanol?
[1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazol-4-yl]methanol has a molecular weight of 237.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazol-4-yl]methanol is sourced from PubChem (CID 130274480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).