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

C14H21N5OS — CID 115940323

IUPAC4-ethyl-3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one
SMILESCCNC(CC)c1ccc(Sc2n[nH]c(=O)n2CC)cn1
InChIInChI=1S/C14H21N5OS/c1-4-11(15-5-2)12-8-7-10(9-16-12)21-14-18-17-13(20)19(14)6-3/h7-9,11,15H,4-6H2,1-3H3,(H,17,20)
InChIKeyJCPPKHRIIAFEBH-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.20
Rot. Bonds7

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

4-ethyl-3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one (PubChem CID 115940323) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-ethyl-3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one
PubChem CID115940323
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name4-ethyl-3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one
SMILESCCNC(CC)c1ccc(Sc2n[nH]c(=O)n2CC)cn1
InChIInChI=1S/C14H21N5OS/c1-4-11(15-5-2)12-8-7-10(9-16-12)21-14-18-17-13(20)19(14)6-3/h7-9,11,15H,4-6H2,1-3H3,(H,17,20)
InChIKeyJCPPKHRIIAFEBH-UHFFFAOYSA-N
XLogP2.20
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 83123663
3-[[6-(1-hydroxyethyl)-3-pyridinyl]sulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 83129119
N-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 112585179
4-ethyl-3-[4-[1-(methylamino)ethyl]phenyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 62883423
N-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine
CID 112584977
1-[5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-pyridinyl]-N-ethylpropan-1-amine
CID 115940305
4-amino-2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 136985232
4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzaldehyde
CID 55239148
3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol
CID 107770916
4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxybenzenecarboximidamide
CID 76975652
3-[2-bromo-4-[1-(ethylamino)ethyl]phenyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 62910538
4-ethyl-3-(5-iodopyrimidin-2-yl)sulfanyl-1H-1,2,4-triazol-5-one
CID 116649300

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one (CID 115940323) is 4-ethyl-3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one is CCNC(CC)c1ccc(Sc2n[nH]c(=O)n2CC)cn1.
What is the InChIKey of 4-ethyl-3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one?
The InChIKey is JCPPKHRIIAFEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-4-11(15-5-2)12-8-7-10(9-16-12)21-14-18-17-13(20)19(14)6-3/h7-9,11,15H,4-6H2,1-3H3,(H,17,20).
What are the key properties of 4-ethyl-3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one?
4-ethyl-3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one has a molecular weight of 307.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 115940323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).