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

C4H7N3O — CID 135489810

IUPAC3-ethyl-1,4-dihydro-1,2,4-triazol-5-one
SMILESCCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C4H7N3O/c1-2-3-5-4(8)7-6-3/h2H2,1H3,(H2,5,6,7,8)
InChIKeyNSYKPXCGPMWPGL-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.34
Rot. Bonds1

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

3-ethyl-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 135489810) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 3-ethyl-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-ethyl-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID135489810
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name3-ethyl-1,4-dihydro-1,2,4-triazol-5-one
SMILESCCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C4H7N3O/c1-2-3-5-4(8)7-6-3/h2H2,1H3,(H2,5,6,7,8)
InChIKeyNSYKPXCGPMWPGL-UHFFFAOYSA-N
XLogP-0.34
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-(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
3-(2,2,2-Trifluoroethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136067229
3-(3,3,3-Trifluoropropyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136283613
4-Amino-5-propyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 12621636
3-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 135708778

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-ethyl-1,4-dihydro-1,2,4-triazol-5-one (CID 135489810) is 3-ethyl-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-ethyl-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-ethyl-1,4-dihydro-1,2,4-triazol-5-one is CCc1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-ethyl-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is NSYKPXCGPMWPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-2-3-5-4(8)7-6-3/h2H2,1H3,(H2,5,6,7,8).
What are the key properties of 3-ethyl-1,4-dihydro-1,2,4-triazol-5-one?
3-ethyl-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 113.12 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 135489810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).