1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol

C7H13N3O — CID 58337035

IUPAC1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
SMILESCC(O)c1ncnn1C(C)C
InChIInChI=1S/C7H13N3O/c1-5(2)10-7(6(3)11)8-4-9-10/h4-6,11H,1-3H3
InChIKeyQZPWSVHOYJMQCY-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.91
Rot. Bonds2

About 1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol

1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol (PubChem CID 58337035) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
PubChem CID58337035
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
SMILESCC(O)c1ncnn1C(C)C
InChIInChI=1S/C7H13N3O/c1-5(2)10-7(6(3)11)8-4-9-10/h4-6,11H,1-3H3
InChIKeyQZPWSVHOYJMQCY-UHFFFAOYSA-N
XLogP0.91
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Methyl-1H-1,2,4-triazol-3-yl)methanol
CID 10351670
(1-ethyl-1H-1,2,4-triazol-5-yl)methanol
CID 11412385
1-(1-Methylethyl)-1H-1,2,4-triazole-5-methanol
CID 13624273
4-Propyl-4H-1,2,4-triazole-3-methanol
CID 22938629
1-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-ol
CID 45085253
(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71695279
(1,3-dimethyl-1H-1,2,4-triazol-5-yl)methanol
CID 84647940
1-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 89881889
(1-methyl-1H-1,2,4-triazol-5-yl)methanol hydrochloride
CID 126802643
2-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 65600773
(1-methyl-1H-1,2,4-triazol-5-yl)methanol
CID 11073377
[2-(2-Fluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 18406845

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol (CID 58337035) is 1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol is CC(O)c1ncnn1C(C)C.
What is the InChIKey of 1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is QZPWSVHOYJMQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5(2)10-7(6(3)11)8-4-9-10/h4-6,11H,1-3H3.
What are the key properties of 1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 155.20 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 58337035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).