4-ethyl-5-(1-hydroxyethyl)-2-methyl-1,2,4-triazol-3-one

C7H13N3O2 — CID 154642351

IUPAC4-ethyl-5-(1-hydroxyethyl)-2-methyl-1,2,4-triazol-3-one
SMILESCCn1c(C(C)O)nn(C)c1=O
InChIInChI=1S/C7H13N3O2/c1-4-10-6(5(2)11)8-9(3)7(10)12/h5,11H,4H2,1-3H3
InChIKeyMZZQALYWRXVZIJ-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.34
Rot. Bonds2

About 4-ethyl-5-(1-hydroxyethyl)-2-methyl-1,2,4-triazol-3-one

4-ethyl-5-(1-hydroxyethyl)-2-methyl-1,2,4-triazol-3-one (PubChem CID 154642351) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-ethyl-5-(1-hydroxyethyl)-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-5-(1-hydroxyethyl)-2-methyl-1,2,4-triazol-3-one
PubChem CID154642351
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name4-ethyl-5-(1-hydroxyethyl)-2-methyl-1,2,4-triazol-3-one
SMILESCCn1c(C(C)O)nn(C)c1=O
InChIInChI=1S/C7H13N3O2/c1-4-10-6(5(2)11)8-9(3)7(10)12/h5,11H,4H2,1-3H3
InChIKeyMZZQALYWRXVZIJ-UHFFFAOYSA-N
XLogP-0.34
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one
CID 389497
1-(3-fluoro-2-hydroxypropyl)-3,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 165606268
5-(Hydroxymethyl)-2,4-dimethyl-1,2,4-triazol-3-one
CID 58333282
3-[(1S)-1-hydroxyethyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 97178555
5-(1-Hydroxyethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 130113440
Ethane;5-ethyl-4-(1-hydroxypropyl)-2-methyl-1,2,4-triazol-3-one
CID 141816860
3-(hydroxymethyl)-4-propyl-1H-1,2,4-triazol-5-one
CID 142335819
4-Ethyl-5-(hydroxymethyl)-2-propan-2-yl-1,2,4-triazol-3-one
CID 154642132
5-(Hydroxymethyl)-2-propan-2-yl-4-propyl-1,2,4-triazol-3-one
CID 154642315
2,4-Diethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one
CID 154642321
4-Ethyl-5-(hydroxymethyl)-2-methyl-1,2,4-triazol-3-one
CID 154674818
2-Tert-butyl-5-(hydroxymethyl)-4-propyl-1,2,4-triazol-3-one
CID 164708137

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(1-hydroxyethyl)-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-5-(1-hydroxyethyl)-2-methyl-1,2,4-triazol-3-one (CID 154642351) is 4-ethyl-5-(1-hydroxyethyl)-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-5-(1-hydroxyethyl)-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-5-(1-hydroxyethyl)-2-methyl-1,2,4-triazol-3-one is CCn1c(C(C)O)nn(C)c1=O.
What is the InChIKey of 4-ethyl-5-(1-hydroxyethyl)-2-methyl-1,2,4-triazol-3-one?
The InChIKey is MZZQALYWRXVZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-4-10-6(5(2)11)8-9(3)7(10)12/h5,11H,4H2,1-3H3.
What are the key properties of 4-ethyl-5-(1-hydroxyethyl)-2-methyl-1,2,4-triazol-3-one?
4-ethyl-5-(1-hydroxyethyl)-2-methyl-1,2,4-triazol-3-one has a molecular weight of 171.20 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(1-hydroxyethyl)-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 154642351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).