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

C11H21N3O — CID 155792128

IUPAC1-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]propan-2-ol
SMILESCC(O)Cn1nc(C(C)C)nc1C(C)C
InChIInChI=1S/C11H21N3O/c1-7(2)10-12-11(8(3)4)14(13-10)6-9(5)15/h7-9,15H,6H2,1-5H3
InChIKeyLKAPTTKQIVWPKR-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.91
Rot. Bonds4

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

1-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]propan-2-ol (PubChem CID 155792128) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]propan-2-ol
PubChem CID155792128
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]propan-2-ol
SMILESCC(O)Cn1nc(C(C)C)nc1C(C)C
InChIInChI=1S/C11H21N3O/c1-7(2)10-12-11(8(3)4)14(13-10)6-9(5)15/h7-9,15H,6H2,1-5H3
InChIKeyLKAPTTKQIVWPKR-UHFFFAOYSA-N
XLogP1.91
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]propan-2-ol?
The IUPAC name of 1-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]propan-2-ol (CID 155792128) is 1-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]propan-2-ol is CC(O)Cn1nc(C(C)C)nc1C(C)C.
What is the InChIKey of 1-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]propan-2-ol?
The InChIKey is LKAPTTKQIVWPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-7(2)10-12-11(8(3)4)14(13-10)6-9(5)15/h7-9,15H,6H2,1-5H3.
What are the key properties of 1-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]propan-2-ol?
1-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]propan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]propan-2-ol is sourced from PubChem (CID 155792128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).