3-(3-chlorophenyl)-1-[(Z)-2-methylsulfinylethenyl]-1,2,4-triazole

C11H10ClN3OS — CID 58503655

IUPAC3-(3-chlorophenyl)-1-[(Z)-2-methylsulfinylethenyl]-1,2,4-triazole
SMILESCS(=O)/C=C\n1cnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C11H10ClN3OS/c1-17(16)6-5-15-8-13-11(14-15)9-3-2-4-10(12)7-9/h2-8H,1H3/b6-5-
InChIKeyLJIZGPVLPKSYGW-WAYWQWQTSA-N
MW267.74 g/mol
LogP2.41
Rot. Bonds3

About 3-(3-chlorophenyl)-1-[(Z)-2-methylsulfinylethenyl]-1,2,4-triazole

3-(3-chlorophenyl)-1-[(Z)-2-methylsulfinylethenyl]-1,2,4-triazole (PubChem CID 58503655) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[(Z)-2-methylsulfinylethenyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[(Z)-2-methylsulfinylethenyl]-1,2,4-triazole
PubChem CID58503655
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name3-(3-chlorophenyl)-1-[(Z)-2-methylsulfinylethenyl]-1,2,4-triazole
SMILESCS(=O)/C=C\n1cnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C11H10ClN3OS/c1-17(16)6-5-15-8-13-11(14-15)9-3-2-4-10(12)7-9/h2-8H,1H3/b6-5-
InChIKeyLJIZGPVLPKSYGW-WAYWQWQTSA-N
XLogP2.41
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enenitrile
CID 53386028
3-(3-chlorophenyl)-1-[(Z)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazole
CID 53386133
1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)-
CID 3044468
1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylsulfonyl)-
CID 3073971
3-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazole
CID 847770
3-(3-chlorophenyl)-1-[(Z)-2-methylsulfonylethenyl]-1,2,4-triazole
CID 58503801
(Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enenitrile
CID 58503858
3-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazole
CID 115394660
3-(3-chlorophenyl)-4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazole
CID 963564
4-[5-(3-Chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]-1,4-thiazinane 1-oxide
CID 128272795
3-(3-Chlorophenyl)-1-(3,3,3-trifluoroprop-1-enyl)-1,2,4-triazole
CID 66997067
3-(3-Chloro-4-fluorophenyl)-4-methyl-1,2,4-triazole
CID 82878898

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[(Z)-2-methylsulfinylethenyl]-1,2,4-triazole?
The IUPAC name of 3-(3-chlorophenyl)-1-[(Z)-2-methylsulfinylethenyl]-1,2,4-triazole (CID 58503655) is 3-(3-chlorophenyl)-1-[(Z)-2-methylsulfinylethenyl]-1,2,4-triazole.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[(Z)-2-methylsulfinylethenyl]-1,2,4-triazole?
The canonical SMILES for 3-(3-chlorophenyl)-1-[(Z)-2-methylsulfinylethenyl]-1,2,4-triazole is CS(=O)/C=C\n1cnc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 3-(3-chlorophenyl)-1-[(Z)-2-methylsulfinylethenyl]-1,2,4-triazole?
The InChIKey is LJIZGPVLPKSYGW-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-17(16)6-5-15-8-13-11(14-15)9-3-2-4-10(12)7-9/h2-8H,1H3/b6-5-.
What are the key properties of 3-(3-chlorophenyl)-1-[(Z)-2-methylsulfinylethenyl]-1,2,4-triazole?
3-(3-chlorophenyl)-1-[(Z)-2-methylsulfinylethenyl]-1,2,4-triazole has a molecular weight of 267.74 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[(Z)-2-methylsulfinylethenyl]-1,2,4-triazole is sourced from PubChem (CID 58503655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).