2-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]ethanol

C10H19N3O — CID 155792167

IUPAC2-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]ethanol
SMILESCC(C)c1nc(C(C)C)n(CCO)n1
InChIInChI=1S/C10H19N3O/c1-7(2)9-11-10(8(3)4)13(12-9)5-6-14/h7-8,14H,5-6H2,1-4H3
InChIKeyMDOZOWSPWKTEJZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.52
Rot. Bonds4

About 2-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]ethanol

2-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 155792167) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]ethanol
PubChem CID155792167
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]ethanol
SMILESCC(C)c1nc(C(C)C)n(CCO)n1
InChIInChI=1S/C10H19N3O/c1-7(2)9-11-10(8(3)4)13(12-9)5-6-14/h7-8,14H,5-6H2,1-4H3
InChIKeyMDOZOWSPWKTEJZ-UHFFFAOYSA-N
XLogP1.52
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]ethanol (CID 155792167) is 2-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]ethanol is CC(C)c1nc(C(C)C)n(CCO)n1.
What is the InChIKey of 2-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is MDOZOWSPWKTEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(2)9-11-10(8(3)4)13(12-9)5-6-14/h7-8,14H,5-6H2,1-4H3.
What are the key properties of 2-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]ethanol?
2-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 197.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 155792167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).