3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one

C11H15N5OS — CID 83123663

IUPAC3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
SMILESCCn1c(Sc2ccc([C@@H](C)N)nc2)n[nH]c1=O
InChIInChI=1S/C11H15N5OS/c1-3-16-10(17)14-15-11(16)18-8-4-5-9(7(2)12)13-6-8/h4-7H,3,12H2,1-2H3,(H,14,17)/t7-/m1/s1
InChIKeyXTSZSYPFTREGAC-SSDOTTSWSA-N
MW265.34 g/mol
LogP1.16
Rot. Bonds4

About 3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one

3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one (PubChem CID 83123663) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
PubChem CID83123663
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
SMILESCCn1c(Sc2ccc([C@@H](C)N)nc2)n[nH]c1=O
InChIInChI=1S/C11H15N5OS/c1-3-16-10(17)14-15-11(16)18-8-4-5-9(7(2)12)13-6-8/h4-7H,3,12H2,1-2H3,(H,14,17)/t7-/m1/s1
InChIKeyXTSZSYPFTREGAC-SSDOTTSWSA-N
XLogP1.16
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one
CID 115940323
3-[[6-(1-hydroxyethyl)-3-pyridinyl]sulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 83129119
4-ethyl-3-[4-[1-(methylamino)ethyl]phenyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 62883423
4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzaldehyde
CID 55239148
4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxybenzenecarboximidamide
CID 76975652
3-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 63371425
2-amino-5-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzonitrile
CID 113324164
3-[2-(2-aminopropyl)-4-fluorophenyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 63820369
3-[2-[(1R)-1-aminopropyl]phenyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 103959569
4-ethyl-3-(5-iodopyrimidin-2-yl)sulfanyl-1H-1,2,4-triazol-5-one
CID 116649300
3-(4-aminopyrimidin-2-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 116798257
3-[(3-amino-2-pyridinyl)sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 62883889

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one (CID 83123663) is 3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one is CCn1c(Sc2ccc([C@@H](C)N)nc2)n[nH]c1=O.
What is the InChIKey of 3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one?
The InChIKey is XTSZSYPFTREGAC-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-3-16-10(17)14-15-11(16)18-8-4-5-9(7(2)12)13-6-8/h4-7H,3,12H2,1-2H3,(H,14,17)/t7-/m1/s1.
What are the key properties of 3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one?
3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one has a molecular weight of 265.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 83123663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).