2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]propan-1-ol

C8H15N3O2 — CID 130503451

IUPAC2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]propan-1-ol
SMILESCC(CO)n1cc(C(C)(C)O)nn1
InChIInChI=1S/C8H15N3O2/c1-6(5-12)11-4-7(9-10-11)8(2,3)13/h4,6,12-13H,5H2,1-3H3
InChIKeyMMJBJXSPMOVVIN-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.06
Rot. Bonds3

About 2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]propan-1-ol

2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]propan-1-ol (PubChem CID 130503451) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]propan-1-ol
PubChem CID130503451
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]propan-1-ol
SMILESCC(CO)n1cc(C(C)(C)O)nn1
InChIInChI=1S/C8H15N3O2/c1-6(5-12)11-4-7(9-10-11)8(2,3)13/h4,6,12-13H,5H2,1-3H3
InChIKeyMMJBJXSPMOVVIN-UHFFFAOYSA-N
XLogP0.06
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(1-propan-2-yltriazol-4-yl)butan-2-ol
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1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol
CID 114496925
2-chloro-N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]acetamide
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2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 63999337
2-[1-(3,4-dimethylphenyl)triazol-4-yl]propan-2-ol
CID 71594875
2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol
CID 102031317
4-(5-methylundecan-5-yl)-1-propan-2-yltriazole
CID 126762814
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol
CID 103014205
2-[1-(4-amino-1,2,5-oxadiazol-3-yl)triazol-4-yl]propan-2-ol
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1-[(2S)-5-(4-tert-butyltriazol-1-yl)-5-methylhexan-2-yl]-4-ethyltriazole
CID 174013771

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]propan-1-ol?
The IUPAC name of 2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]propan-1-ol (CID 130503451) is 2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]propan-1-ol.
What is the SMILES notation for 2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]propan-1-ol?
The canonical SMILES for 2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]propan-1-ol is CC(CO)n1cc(C(C)(C)O)nn1.
What is the InChIKey of 2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]propan-1-ol?
The InChIKey is MMJBJXSPMOVVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-6(5-12)11-4-7(9-10-11)8(2,3)13/h4,6,12-13H,5H2,1-3H3.
What are the key properties of 2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]propan-1-ol?
2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]propan-1-ol has a molecular weight of 185.23 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]propan-1-ol is sourced from PubChem (CID 130503451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).