4-ethyl-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one

C12H13N5OS — CID 112786106

IUPAC4-ethyl-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one
SMILESCCn1c(SCc2cn3ccccc3n2)n[nH]c1=O
InChIInChI=1S/C12H13N5OS/c1-2-17-11(18)14-15-12(17)19-8-9-7-16-6-4-3-5-10(16)13-9/h3-7H,2,8H2,1H3,(H,14,18)
InChIKeyZKPJWFKIAQXMMA-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.53
Rot. Bonds4

About 4-ethyl-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one

4-ethyl-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one (PubChem CID 112786106) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 4-ethyl-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one
PubChem CID112786106
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name4-ethyl-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one
SMILESCCn1c(SCc2cn3ccccc3n2)n[nH]c1=O
InChIInChI=1S/C12H13N5OS/c1-2-17-11(18)14-15-12(17)19-8-9-7-16-6-4-3-5-10(16)13-9/h3-7H,2,8H2,1H3,(H,14,18)
InChIKeyZKPJWFKIAQXMMA-UHFFFAOYSA-N
XLogP1.53
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19729814
3-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-4-one
CID 19615157
2-[[4-ethyl-5-[1-(4-fluorophenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19640491
2-[[5-(5-bromofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19724695
2-[[4-ethyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19717679
2-[[5-(4,5-dimethylthiophen-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19720848
4-ethyl-3-(2-hydroxy-2-phenylethyl)sulfanyl-1H-1,2,4-triazol-5-one
CID 60704514
2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 21165389
2-[[5-(4-butoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19732600
2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline
CID 23821918
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 56562225
3-[[5-(aminomethyl)furan-2-yl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 113372569

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one (CID 112786106) is 4-ethyl-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one is CCn1c(SCc2cn3ccccc3n2)n[nH]c1=O.
What is the InChIKey of 4-ethyl-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one?
The InChIKey is ZKPJWFKIAQXMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-2-17-11(18)14-15-12(17)19-8-9-7-16-6-4-3-5-10(16)13-9/h3-7H,2,8H2,1H3,(H,14,18).
What are the key properties of 4-ethyl-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one?
4-ethyl-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one has a molecular weight of 275.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 112786106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).