5-(2-propylsulfanylphenyl)-2H-triazole-4-carboxamide

C12H14N4OS — CID 169402539

IUPAC5-(2-propylsulfanylphenyl)-2H-triazole-4-carboxamide
SMILESCCCSc1ccccc1-c1n[nH]nc1C(N)=O
InChIInChI=1S/C12H14N4OS/c1-2-7-18-9-6-4-3-5-8(9)10-11(12(13)17)15-16-14-10/h3-6H,2,7H2,1H3,(H2,13,17)(H,14,15,16)
InChIKeyFVGLDZGICKLEKJ-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.07
Rot. Bonds5

About 5-(2-propylsulfanylphenyl)-2H-triazole-4-carboxamide

5-(2-propylsulfanylphenyl)-2H-triazole-4-carboxamide (PubChem CID 169402539) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 5-(2-propylsulfanylphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-propylsulfanylphenyl)-2H-triazole-4-carboxamide
PubChem CID169402539
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name5-(2-propylsulfanylphenyl)-2H-triazole-4-carboxamide
SMILESCCCSc1ccccc1-c1n[nH]nc1C(N)=O
InChIInChI=1S/C12H14N4OS/c1-2-7-18-9-6-4-3-5-8(9)10-11(12(13)17)15-16-14-10/h3-6H,2,7H2,1H3,(H2,13,17)(H,14,15,16)
InChIKeyFVGLDZGICKLEKJ-UHFFFAOYSA-N
XLogP2.07
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(2-hexylsulfanylphenyl)-2H-triazole-4-carboxylate
CID 169399543
5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide
CID 169402107
5-(2-hydroxy-3-propan-2-ylphenyl)-2H-triazole-4-carboxamide
CID 169404898
ethyl 5-[2-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxylate
CID 169400307
5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide
CID 169404204
5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide
CID 169402424
5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402878
methyl 2-bromo-6-(5-carbamoyl-2H-triazol-4-yl)benzoate
CID 169404868
5-[4-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxamide
CID 169403301
5-[2-[(4-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402614
5-[2-(3-cyanopropoxy)-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403937
5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide
CID 169403250

Frequently Asked Questions

What is the IUPAC name of 5-(2-propylsulfanylphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(2-propylsulfanylphenyl)-2H-triazole-4-carboxamide (CID 169402539) is 5-(2-propylsulfanylphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(2-propylsulfanylphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(2-propylsulfanylphenyl)-2H-triazole-4-carboxamide is CCCSc1ccccc1-c1n[nH]nc1C(N)=O.
What is the InChIKey of 5-(2-propylsulfanylphenyl)-2H-triazole-4-carboxamide?
The InChIKey is FVGLDZGICKLEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-2-7-18-9-6-4-3-5-8(9)10-11(12(13)17)15-16-14-10/h3-6H,2,7H2,1H3,(H2,13,17)(H,14,15,16).
What are the key properties of 5-(2-propylsulfanylphenyl)-2H-triazole-4-carboxamide?
5-(2-propylsulfanylphenyl)-2H-triazole-4-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propylsulfanylphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).