4-ethyl-3-(1-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-5-one

C10H18N4O — CID 50982700

IUPAC4-ethyl-3-(1-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-5-one
SMILESCCn1c(C(C)N2CCCC2)n[nH]c1=O
InChIInChI=1S/C10H18N4O/c1-3-14-9(11-12-10(14)15)8(2)13-6-4-5-7-13/h8H,3-7H2,1-2H3,(H,12,15)
InChIKeyJDNZHSOUIHCPNU-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.75
Rot. Bonds3

About 4-ethyl-3-(1-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-5-one

4-ethyl-3-(1-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-5-one (PubChem CID 50982700) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-ethyl-3-(1-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-(1-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-5-one
PubChem CID50982700
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-ethyl-3-(1-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-5-one
SMILESCCn1c(C(C)N2CCCC2)n[nH]c1=O
InChIInChI=1S/C10H18N4O/c1-3-14-9(11-12-10(14)15)8(2)13-6-4-5-7-13/h8H,3-7H2,1-2H3,(H,12,15)
InChIKeyJDNZHSOUIHCPNU-UHFFFAOYSA-N
XLogP0.75
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(1-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-(1-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-5-one (CID 50982700) is 4-ethyl-3-(1-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-(1-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-(1-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-5-one is CCn1c(C(C)N2CCCC2)n[nH]c1=O.
What is the InChIKey of 4-ethyl-3-(1-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-5-one?
The InChIKey is JDNZHSOUIHCPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-14-9(11-12-10(14)15)8(2)13-6-4-5-7-13/h8H,3-7H2,1-2H3,(H,12,15).
What are the key properties of 4-ethyl-3-(1-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-5-one?
4-ethyl-3-(1-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-5-one has a molecular weight of 210.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(1-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 50982700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).