ethane;3-ethyl-1,4-dihydro-1,2,4-triazol-5-one

C6H13N3O — CID 143054658

IUPACethane;3-ethyl-1,4-dihydro-1,2,4-triazol-5-one
SMILESCC.CCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C4H7N3O.C2H6/c1-2-3-5-4(8)7-6-3;1-2/h2H2,1H3,(H2,5,6,7,8);1-2H3
InChIKeyZRNZMLGFWUCUOV-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.69
Rot. Bonds1

About ethane;3-ethyl-1,4-dihydro-1,2,4-triazol-5-one

ethane;3-ethyl-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 143054658) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is ethane;3-ethyl-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Nameethane;3-ethyl-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID143054658
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Nameethane;3-ethyl-1,4-dihydro-1,2,4-triazol-5-one
SMILESCC.CCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C4H7N3O.C2H6/c1-2-3-5-4(8)7-6-3;1-2/h2H2,1H3,(H2,5,6,7,8);1-2H3
InChIKeyZRNZMLGFWUCUOV-UHFFFAOYSA-N
XLogP0.69
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-2,4-dihydro-5-(1-methylethyl)-3H-1,2,4-triazol-3-one
CID 10866435
3-propyl-1H-1,2,4-triazol-5(4H)-one
CID 135449528
5-Isobutyl-1,2-dihydro-[1,2,4]triazol-3-one
CID 135449536
5-methyl-1H-1,2,4-triazol-3-ol
CID 135429738
4-amino-3-ethyl-1H-1,2,4-triazol-5-one
CID 384491
3-Ethyl-1,4-dihydro-1,2,4-triazol-5-one
CID 135489810
5-(3-aminopropyl)-2,3-dihydro-1H-1,2,4-triazol-3-one hydrochloride
CID 135966758
3-(2-aminoethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
CID 135966760
3-(tert-butyl)-1H-1,2,4-triazol-5(4H)-one
CID 135736966
3-(2-Aminoethyl)-1H-1,2,4-triazol-5(4H)-one
CID 135873057
5-(3-Aminopropyl)-2,3-dihydro-1H-1,2,4-triazol-3-one
CID 135966759
5-ethyl-2-methyl-4H-1,2,4-triazol-3-one
CID 136313162

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of ethane;3-ethyl-1,4-dihydro-1,2,4-triazol-5-one (CID 143054658) is ethane;3-ethyl-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for ethane;3-ethyl-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for ethane;3-ethyl-1,4-dihydro-1,2,4-triazol-5-one is CC.CCc1n[nH]c(=O)[nH]1.
What is the InChIKey of ethane;3-ethyl-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is ZRNZMLGFWUCUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.C2H6/c1-2-3-5-4(8)7-6-3;1-2/h2H2,1H3,(H2,5,6,7,8);1-2H3.
What are the key properties of ethane;3-ethyl-1,4-dihydro-1,2,4-triazol-5-one?
ethane;3-ethyl-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 143.19 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 143054658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).