3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one

C10H12ClN5OS — CID 63732919

IUPAC3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
SMILESCCc1c(Cl)ncnc1Sc1n[nH]c(=O)n1CC
InChIInChI=1S/C10H12ClN5OS/c1-3-6-7(11)12-5-13-8(6)18-10-15-14-9(17)16(10)4-2/h5H,3-4H2,1-2H3,(H,14,17)
InChIKeyLYLKHYROLOMLIZ-UHFFFAOYSA-N
MW285.76 g/mol
LogP1.75
Rot. Bonds4

About 3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one

3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one (PubChem CID 63732919) has the molecular formula C10H12ClN5OS and a molecular weight of 285.76 g/mol. Its IUPAC name is 3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
PubChem CID63732919
Molecular FormulaC10H12ClN5OS
Molecular Weight285.76 g/mol
Exact Mass285.05
IUPAC Name3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
SMILESCCc1c(Cl)ncnc1Sc1n[nH]c(=O)n1CC
InChIInChI=1S/C10H12ClN5OS/c1-3-6-7(11)12-5-13-8(6)18-10-15-14-9(17)16(10)4-2/h5H,3-4H2,1-2H3,(H,14,17)
InChIKeyLYLKHYROLOMLIZ-UHFFFAOYSA-N
XLogP1.75
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

3-(4-chlorophthalazin-1-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 62883949
4-chloro-6-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-methylpyrimidine-5-carbaldehyde
CID 80726197
4-chloro-5-ethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 63730609
3-[(3-amino-2-pyridinyl)sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 62883889
3-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carboxylic acid
CID 55129290
3-[(3-acetyl-2-pyridinyl)sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 114055722
4-ethyl-3-(5-iodopyrimidin-2-yl)sulfanyl-1H-1,2,4-triazol-5-one
CID 116649300
3-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 62883600
3-[(6-chloro-2-pyridinyl)sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 63588823
3-[[5-(aminomethyl)-3-methyl-2-pyridinyl]sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 80651573
2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylic acid
CID 60702126
4-propyl-3-[(3,5,6-trichloro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-5-one
CID 102752352

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one (CID 63732919) is 3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one is CCc1c(Cl)ncnc1Sc1n[nH]c(=O)n1CC.
What is the InChIKey of 3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one?
The InChIKey is LYLKHYROLOMLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5OS/c1-3-6-7(11)12-5-13-8(6)18-10-15-14-9(17)16(10)4-2/h5H,3-4H2,1-2H3,(H,14,17).
What are the key properties of 3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one?
3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one has a molecular weight of 285.76 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 63732919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).