2-(4-propan-2-yltriazol-1-yl)ethanol

C7H13N3O — CID 115012061

IUPAC2-(4-propan-2-yltriazol-1-yl)ethanol
SMILESCC(C)c1cn(CCO)nn1
InChIInChI=1S/C7H13N3O/c1-6(2)7-5-10(3-4-11)9-8-7/h5-6,11H,3-4H2,1-2H3
InChIKeyRAPQUBIDZTUPNK-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.39
Rot. Bonds3

About 2-(4-propan-2-yltriazol-1-yl)ethanol

2-(4-propan-2-yltriazol-1-yl)ethanol (PubChem CID 115012061) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(4-propan-2-yltriazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-propan-2-yltriazol-1-yl)ethanol
PubChem CID115012061
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-(4-propan-2-yltriazol-1-yl)ethanol
SMILESCC(C)c1cn(CCO)nn1
InChIInChI=1S/C7H13N3O/c1-6(2)7-5-10(3-4-11)9-8-7/h5-6,11H,3-4H2,1-2H3
InChIKeyRAPQUBIDZTUPNK-UHFFFAOYSA-N
XLogP0.39
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methyl-1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 81445217
2-(1-ethyl-1H-1,2,3-triazol-4-yl)propan-2-ol
CID 112756264
1,4-Di(propan-2-yl)triazole
CID 21054920
1-(2-Fluoroethyl)-4-propan-2-yltriazole
CID 58384186
1-(3-Fluoropropyl)-4-propan-2-yltriazole
CID 58384188
1-(Fluoromethyl)-4-propan-2-yltriazole
CID 58384190
2-(4-tert-butyl-1H-1,2,3-triazol-1-yl)-2,2-difluoroethan-1-ol
CID 124179959
3-(4-Tert-butyltriazol-1-yl)-1,1,1-trifluoropropan-2-ol
CID 124179966
3-(4-Butan-2-yltriazol-1-yl)-1,1,1-trifluoropropan-2-ol
CID 132246971
4-(2-Fluoroethyl)-1-(1-methoxypropan-2-yl)triazole
CID 142603446
1-[2-(Difluoromethoxy)ethyl]-5-propan-2-yltriazole
CID 166500516
5-Propan-2-yl-1-[2-(trifluoromethoxy)ethyl]triazole
CID 168845722

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yltriazol-1-yl)ethanol?
The IUPAC name of 2-(4-propan-2-yltriazol-1-yl)ethanol (CID 115012061) is 2-(4-propan-2-yltriazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-propan-2-yltriazol-1-yl)ethanol?
The canonical SMILES for 2-(4-propan-2-yltriazol-1-yl)ethanol is CC(C)c1cn(CCO)nn1.
What is the InChIKey of 2-(4-propan-2-yltriazol-1-yl)ethanol?
The InChIKey is RAPQUBIDZTUPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-6(2)7-5-10(3-4-11)9-8-7/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 2-(4-propan-2-yltriazol-1-yl)ethanol?
2-(4-propan-2-yltriazol-1-yl)ethanol has a molecular weight of 155.20 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yltriazol-1-yl)ethanol is sourced from PubChem (CID 115012061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).