[1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]triazol-4-yl]methanol

C13H23N3O — CID 58477079

IUPAC[1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]triazol-4-yl]methanol
SMILESCC1(C)CC[C@H](Cn2cc(CO)nn2)C1(C)C
InChIInChI=1S/C13H23N3O/c1-12(2)6-5-10(13(12,3)4)7-16-8-11(9-17)14-15-16/h8,10,17H,5-7,9H2,1-4H3/t10-/m1/s1
InChIKeyKNRMDWMJGLFZBF-SNVBAGLBSA-N
MW237.35 g/mol
LogP2.23
Rot. Bonds3

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

[1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]triazol-4-yl]methanol (PubChem CID 58477079) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]triazol-4-yl]methanol
PubChem CID58477079
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]triazol-4-yl]methanol
SMILESCC1(C)CC[C@H](Cn2cc(CO)nn2)C1(C)C
InChIInChI=1S/C13H23N3O/c1-12(2)6-5-10(13(12,3)4)7-16-8-11(9-17)14-15-16/h8,10,17H,5-7,9H2,1-4H3/t10-/m1/s1
InChIKeyKNRMDWMJGLFZBF-SNVBAGLBSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]triazol-4-yl]methanol (CID 58477079) is [1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]triazol-4-yl]methanol is CC1(C)CC[C@H](Cn2cc(CO)nn2)C1(C)C.
What is the InChIKey of [1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]triazol-4-yl]methanol?
The InChIKey is KNRMDWMJGLFZBF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12(2)6-5-10(13(12,3)4)7-16-8-11(9-17)14-15-16/h8,10,17H,5-7,9H2,1-4H3/t10-/m1/s1.
What are the key properties of [1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]triazol-4-yl]methanol?
[1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]triazol-4-yl]methanol has a molecular weight of 237.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 58477079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).