8-chloro-3-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine

C12H7ClN6OS — CID 39781676

IUPAC8-chloro-3-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccn2c(-c3ccc(Sc4ncn[nH]4)o3)nnc12
InChIInChI=1S/C12H7ClN6OS/c13-7-2-1-5-19-10(7)16-17-11(19)8-3-4-9(20-8)21-12-14-6-15-18-12/h1-6H,(H,14,15,18)
InChIKeyKCIPBUVBQGANTA-UHFFFAOYSA-N
MW318.75 g/mol
LogP2.91
Rot. Bonds3

About 8-chloro-3-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 39781676) has the molecular formula C12H7ClN6OS and a molecular weight of 318.75 g/mol. Its IUPAC name is 8-chloro-3-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID39781676
Molecular FormulaC12H7ClN6OS
Molecular Weight318.75 g/mol
Exact Mass318.01
IUPAC Name8-chloro-3-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccn2c(-c3ccc(Sc4ncn[nH]4)o3)nnc12
InChIInChI=1S/C12H7ClN6OS/c13-7-2-1-5-19-10(7)16-17-11(19)8-3-4-9(20-8)21-12-14-6-15-18-12/h1-6H,(H,14,15,18)
InChIKeyKCIPBUVBQGANTA-UHFFFAOYSA-N
XLogP2.91
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.75
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-chloro-3-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

3-(5-bromofuran-2-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine
CID 117146848
3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147652
8-chloro-3-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 39834346
1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]butan-2-amine
CID 170889850
5-(2-chloro-6-nitrophenyl)sulfanyl-1H-1,2,4-triazole
CID 56772708
8-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117147104
3-tert-butyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine
CID 15754777
5-thiophen-2-ylsulfanyl-1H-1,2,4-triazole
CID 141130779
(3R)-3-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211302
5-(2-chloro-3-fluorophenyl)sulfanyl-1H-1,2,4-triazole
CID 141410483
(9aR)-8-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95199390
8-chloro-3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146489

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 39781676) is 8-chloro-3-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine is Clc1cccn2c(-c3ccc(Sc4ncn[nH]4)o3)nnc12.
What is the InChIKey of 8-chloro-3-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is KCIPBUVBQGANTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN6OS/c13-7-2-1-5-19-10(7)16-17-11(19)8-3-4-9(20-8)21-12-14-6-15-18-12/h1-6H,(H,14,15,18).
What are the key properties of 8-chloro-3-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 318.75 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 39781676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).