3-ethyl-4-methyl-1,5-dihydro-1,2,4-triazol-5-ol

C5H11N3O — CID 142841618

IUPAC3-ethyl-4-methyl-1,5-dihydro-1,2,4-triazol-5-ol
SMILESCCC1=NNC(O)N1C
InChIInChI=1S/C5H11N3O/c1-3-4-6-7-5(9)8(4)2/h5,7,9H,3H2,1-2H3
InChIKeyASCOHSPLVYSFHV-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.48
Rot. Bonds1

About 3-ethyl-4-methyl-1,5-dihydro-1,2,4-triazol-5-ol

3-ethyl-4-methyl-1,5-dihydro-1,2,4-triazol-5-ol (PubChem CID 142841618) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-ethyl-4-methyl-1,5-dihydro-1,2,4-triazol-5-ol.

Molecular Properties

Compound Name3-ethyl-4-methyl-1,5-dihydro-1,2,4-triazol-5-ol
PubChem CID142841618
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name3-ethyl-4-methyl-1,5-dihydro-1,2,4-triazol-5-ol
SMILESCCC1=NNC(O)N1C
InChIInChI=1S/C5H11N3O/c1-3-4-6-7-5(9)8(4)2/h5,7,9H,3H2,1-2H3
InChIKeyASCOHSPLVYSFHV-UHFFFAOYSA-N
XLogP-0.48
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-1,5-dihydro-1,2,4-triazol-5-ol?
The IUPAC name of 3-ethyl-4-methyl-1,5-dihydro-1,2,4-triazol-5-ol (CID 142841618) is 3-ethyl-4-methyl-1,5-dihydro-1,2,4-triazol-5-ol.
What is the SMILES notation for 3-ethyl-4-methyl-1,5-dihydro-1,2,4-triazol-5-ol?
The canonical SMILES for 3-ethyl-4-methyl-1,5-dihydro-1,2,4-triazol-5-ol is CCC1=NNC(O)N1C.
What is the InChIKey of 3-ethyl-4-methyl-1,5-dihydro-1,2,4-triazol-5-ol?
The InChIKey is ASCOHSPLVYSFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-3-4-6-7-5(9)8(4)2/h5,7,9H,3H2,1-2H3.
What are the key properties of 3-ethyl-4-methyl-1,5-dihydro-1,2,4-triazol-5-ol?
3-ethyl-4-methyl-1,5-dihydro-1,2,4-triazol-5-ol has a molecular weight of 129.16 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-1,5-dihydro-1,2,4-triazol-5-ol is sourced from PubChem (CID 142841618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).