1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethanol;ethane

C10H23N3O — CID 145060617

IUPAC1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethanol;ethane
SMILESCC.CC.Cc1nnc(C)n1C(C)O
InChIInChI=1S/C6H11N3O.2C2H6/c1-4-7-8-5(2)9(4)6(3)10;2*1-2/h6,10H,1-3H3;2*1-2H3
InChIKeyZJPWAQNDCOSWLZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.46
Rot. Bonds1

About 1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethanol;ethane

1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethanol;ethane (PubChem CID 145060617) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethanol;ethane.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethanol;ethane
PubChem CID145060617
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethanol;ethane
SMILESCC.CC.Cc1nnc(C)n1C(C)O
InChIInChI=1S/C6H11N3O.2C2H6/c1-4-7-8-5(2)9(4)6(3)10;2*1-2/h6,10H,1-3H3;2*1-2H3
InChIKeyZJPWAQNDCOSWLZ-UHFFFAOYSA-N
XLogP2.46
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethanol;ethane?
The IUPAC name of 1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethanol;ethane (CID 145060617) is 1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethanol;ethane.
What is the SMILES notation for 1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethanol;ethane?
The canonical SMILES for 1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethanol;ethane is CC.CC.Cc1nnc(C)n1C(C)O.
What is the InChIKey of 1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethanol;ethane?
The InChIKey is ZJPWAQNDCOSWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O.2C2H6/c1-4-7-8-5(2)9(4)6(3)10;2*1-2/h6,10H,1-3H3;2*1-2H3.
What are the key properties of 1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethanol;ethane?
1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethanol;ethane has a molecular weight of 201.31 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethanol;ethane is sourced from PubChem (CID 145060617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).