4-ethyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]-1H-1,2,4-triazol-5-one

C11H15N5OS — CID 55129051

IUPAC4-ethyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]-1H-1,2,4-triazol-5-one
SMILESCCn1c(SCc2ccnc(NC)c2)n[nH]c1=O
InChIInChI=1S/C11H15N5OS/c1-3-16-10(17)14-15-11(16)18-7-8-4-5-13-9(6-8)12-2/h4-6H,3,7H2,1-2H3,(H,12,13)(H,14,17)
InChIKeyYFUIKQXBVCZNIB-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.32
Rot. Bonds5

About 4-ethyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]-1H-1,2,4-triazol-5-one

4-ethyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]-1H-1,2,4-triazol-5-one (PubChem CID 55129051) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-ethyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]-1H-1,2,4-triazol-5-one
PubChem CID55129051
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name4-ethyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]-1H-1,2,4-triazol-5-one
SMILESCCn1c(SCc2ccnc(NC)c2)n[nH]c1=O
InChIInChI=1S/C11H15N5OS/c1-3-16-10(17)14-15-11(16)18-7-8-4-5-13-9(6-8)12-2/h4-6H,3,7H2,1-2H3,(H,12,13)(H,14,17)
InChIKeyYFUIKQXBVCZNIB-UHFFFAOYSA-N
XLogP1.32
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

3-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 55129328
3-[[3-(3-aminoprop-1-ynyl)phenyl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 62882382
N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine
CID 62467300
3-[[5-(aminomethyl)furan-2-yl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 113372569
4-(ethylsulfanylmethyl)-N-methylpyridin-2-amine
CID 62466942
4-ethyl-3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 80664663
3-(4-aminopyrimidin-2-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 116798257
4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
CID 63582745
3-[[3-chloro-6-(ethylamino)-2-pyridinyl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 62887081
4-ethyl-3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 79774994
3-[(2-amino-4-chlorophenyl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 62884597
3-[(5-amino-2-hydroxyphenyl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 62883901

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]-1H-1,2,4-triazol-5-one (CID 55129051) is 4-ethyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]-1H-1,2,4-triazol-5-one is CCn1c(SCc2ccnc(NC)c2)n[nH]c1=O.
What is the InChIKey of 4-ethyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]-1H-1,2,4-triazol-5-one?
The InChIKey is YFUIKQXBVCZNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-3-16-10(17)14-15-11(16)18-7-8-4-5-13-9(6-8)12-2/h4-6H,3,7H2,1-2H3,(H,12,13)(H,14,17).
What are the key properties of 4-ethyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]-1H-1,2,4-triazol-5-one?
4-ethyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]-1H-1,2,4-triazol-5-one has a molecular weight of 265.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 55129051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).