ethyl N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]carbamate

C11H10Cl2N4O3S — CID 3557511

IUPACethyl N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C11H10Cl2N4O3S/c1-2-20-11(19)14-8(18)5-21-10-16-15-9-7(13)3-6(12)4-17(9)10/h3-4H,2,5H2,1H3,(H,14,18,19)
InChIKeyHMHXIDYWIWUUAW-UHFFFAOYSA-N
MW349.20 g/mol
LogP2.40
Rot. Bonds4

About ethyl N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]carbamate

ethyl N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]carbamate (PubChem CID 3557511) has the molecular formula C11H10Cl2N4O3S and a molecular weight of 349.20 g/mol. Its IUPAC name is ethyl N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]carbamate
PubChem CID3557511
Molecular FormulaC11H10Cl2N4O3S
Molecular Weight349.20 g/mol
Exact Mass347.99
IUPAC Nameethyl N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C11H10Cl2N4O3S/c1-2-20-11(19)14-8(18)5-21-10-16-15-9-7(13)3-6(12)4-17(9)10/h3-4H,2,5H2,1H3,(H,14,18,19)
InChIKeyHMHXIDYWIWUUAW-UHFFFAOYSA-N
XLogP2.40
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]carbamate with MolForge

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Related Compounds

N-butyl-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide
CID 4024218
N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]benzamide
CID 7878429
N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-2-methoxybenzamide
CID 7878452
N-carbamoyl-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide
CID 47135677
2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 7878390
2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 35789892
methyl 4-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]benzoate
CID 7878626
N-[(4-chlorophenyl)methyl]-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide
CID 4214364
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide
CID 2493469
N-(2-acetylphenyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide
CID 2522652
2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide
CID 135773611
ethyl N-[2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]carbamate
CID 7184095

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]carbamate (CID 3557511) is ethyl N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]carbamate is CCOC(=O)NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12.
What is the InChIKey of ethyl N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]carbamate?
The InChIKey is HMHXIDYWIWUUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O3S/c1-2-20-11(19)14-8(18)5-21-10-16-15-9-7(13)3-6(12)4-17(9)10/h3-4H,2,5H2,1H3,(H,14,18,19).
What are the key properties of ethyl N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]carbamate?
ethyl N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]carbamate has a molecular weight of 349.20 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]carbamate is sourced from PubChem (CID 3557511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).