4-ethyl-2-methyl-5-propyl-1,2,4-triazol-3-one

C8H15N3O — CID 123832689

IUPAC4-ethyl-2-methyl-5-propyl-1,2,4-triazol-3-one
SMILESCCCc1nn(C)c(=O)n1CC
InChIInChI=1S/C8H15N3O/c1-4-6-7-9-10(3)8(12)11(7)5-2/h4-6H2,1-3H3
InChIKeyXAOAIWNAZPUSRY-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.55
Rot. Bonds3

About 4-ethyl-2-methyl-5-propyl-1,2,4-triazol-3-one

4-ethyl-2-methyl-5-propyl-1,2,4-triazol-3-one (PubChem CID 123832689) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-propyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-propyl-1,2,4-triazol-3-one
PubChem CID123832689
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-ethyl-2-methyl-5-propyl-1,2,4-triazol-3-one
SMILESCCCc1nn(C)c(=O)n1CC
InChIInChI=1S/C8H15N3O/c1-4-6-7-9-10(3)8(12)11(7)5-2/h4-6H2,1-3H3
InChIKeyXAOAIWNAZPUSRY-UHFFFAOYSA-N
XLogP0.55
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 104346
4,5-Diethyl-2-propyl-1,2,4-triazol-3-one
CID 154699959
4-Cyclohexyl-5-ethyl-2-methyl-1,2,4-triazol-3-one
CID 172450434
4-Butyl-2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 20798642
5-(1-Fluoroethyl)-2,4-dimethyl-1,2,4-triazol-3-one
CID 141913164
5-(2,2-Difluoroethyl)-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 178164675
4-Butan-2-yl-5-(2,2-difluoroethyl)-2-methyl-1,2,4-triazol-3-one
CID 178812654
1,4-Diethyl-3-methyl-1,2,4-triazol-5-one
CID 129795994
4-(cyclopropylmethyl)-3-(fluoromethyl)-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953631
3-(fluoromethyl)-1-methyl-4-(2-methylpropyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953642
2,4-Dimethyl-5-propan-2-yl-1,2,4-triazol-3-one
CID 18338552
2,4-Dimethyl-5-propyl-1,2,4-triazol-3-one
CID 18737969

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-propyl-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-methyl-5-propyl-1,2,4-triazol-3-one (CID 123832689) is 4-ethyl-2-methyl-5-propyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-5-propyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-methyl-5-propyl-1,2,4-triazol-3-one is CCCc1nn(C)c(=O)n1CC.
What is the InChIKey of 4-ethyl-2-methyl-5-propyl-1,2,4-triazol-3-one?
The InChIKey is XAOAIWNAZPUSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-6-7-9-10(3)8(12)11(7)5-2/h4-6H2,1-3H3.
What are the key properties of 4-ethyl-2-methyl-5-propyl-1,2,4-triazol-3-one?
4-ethyl-2-methyl-5-propyl-1,2,4-triazol-3-one has a molecular weight of 169.23 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-propyl-1,2,4-triazol-3-one is sourced from PubChem (CID 123832689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).