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

C8H15N3O — CID 131631980

IUPAC1-(1-propan-2-yltriazol-4-yl)propan-2-ol
SMILESCC(O)Cc1cn(C(C)C)nn1
InChIInChI=1S/C8H15N3O/c1-6(2)11-5-8(9-10-11)4-7(3)12/h5-7,12H,4H2,1-3H3
InChIKeyJRACIMISJNKUEV-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.78
Rot. Bonds3

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

1-(1-propan-2-yltriazol-4-yl)propan-2-ol (PubChem CID 131631980) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(1-propan-2-yltriazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-propan-2-yltriazol-4-yl)propan-2-ol
PubChem CID131631980
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(1-propan-2-yltriazol-4-yl)propan-2-ol
SMILESCC(O)Cc1cn(C(C)C)nn1
InChIInChI=1S/C8H15N3O/c1-6(2)11-5-8(9-10-11)4-7(3)12/h5-7,12H,4H2,1-3H3
InChIKeyJRACIMISJNKUEV-UHFFFAOYSA-N
XLogP0.78
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 114690055
1-[1-[[1-(1-Propylpiperidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol
CID 46982439
(2S,3R)-2-[4-(2-hydroxyethyl)triazol-1-yl]dodecane-1,3-diol
CID 127052024
1-(1-methyl-1H-1,2,3-triazol-4-yl)propan-2-ol
CID 83675334
2-[1-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazol-4-yl]ethanol
CID 172454094
2-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazol-4-yl]ethanol
CID 172470263
1-(4-Butyltriazol-1-yl)hex-5-en-2-ol
CID 56649156
4-(1-Ethyltriazol-4-yl)butan-1-ol
CID 155005936
2-(1-(3,7-Dimethylocta-2,6-dienyl)-1h-1,2,3-triazole-4-yl)ethanol
CID 129883773
3-(4-Propyltriazol-1-yl)propyl sulfite
CID 139211405
2-[1-(2,2,2-Trifluoroethyl)triazol-4-yl]ethanol
CID 62401128
2-[1-(2,2-Difluoroethyl)triazol-4-yl]ethanol
CID 62402059

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-yltriazol-4-yl)propan-2-ol?
The IUPAC name of 1-(1-propan-2-yltriazol-4-yl)propan-2-ol (CID 131631980) is 1-(1-propan-2-yltriazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(1-propan-2-yltriazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(1-propan-2-yltriazol-4-yl)propan-2-ol is CC(O)Cc1cn(C(C)C)nn1.
What is the InChIKey of 1-(1-propan-2-yltriazol-4-yl)propan-2-ol?
The InChIKey is JRACIMISJNKUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(2)11-5-8(9-10-11)4-7(3)12/h5-7,12H,4H2,1-3H3.
What are the key properties of 1-(1-propan-2-yltriazol-4-yl)propan-2-ol?
1-(1-propan-2-yltriazol-4-yl)propan-2-ol has a molecular weight of 169.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-yltriazol-4-yl)propan-2-ol is sourced from PubChem (CID 131631980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).