3-amino-N-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole-4-carboxamide

C10H10ClN5OS — CID 1489726

IUPAC3-amino-N-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole-4-carboxamide
SMILESCSc1nnc(N)n1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN5OS/c1-18-10-15-14-8(12)16(10)9(17)13-7-4-2-6(11)3-5-7/h2-5H,1H3,(H2,12,14)(H,13,17)
InChIKeyLGIPCWMQMPTZDX-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.32
Rot. Bonds2

About 3-amino-N-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole-4-carboxamide

3-amino-N-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole-4-carboxamide (PubChem CID 1489726) has the molecular formula C10H10ClN5OS and a molecular weight of 283.74 g/mol. Its IUPAC name is 3-amino-N-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole-4-carboxamide
PubChem CID1489726
Molecular FormulaC10H10ClN5OS
Molecular Weight283.74 g/mol
Exact Mass283.03
IUPAC Name3-amino-N-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole-4-carboxamide
SMILESCSc1nnc(N)n1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN5OS/c1-18-10-15-14-8(12)16(10)9(17)13-7-4-2-6(11)3-5-7/h2-5H,1H3,(H2,12,14)(H,13,17)
InChIKeyLGIPCWMQMPTZDX-UHFFFAOYSA-N
XLogP2.32
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-5-[(3-methylbut-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-3-amine
CID 16757345
1-(4-Chlorophenyl)-3-(3-prop-2-enylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 4990240
1-(4-Chlorophenyl)-3-[5-(prop-2-enylamino)-1,2,4-thiadiazol-3-yl]urea
CID 155537842
3-amino-N-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole-4-carboxamide
CID 1489723
1-(4-Chlorophenyl)-3-(3-prop-2-ynylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 44753873
N-(4-chlorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 712474
4-(4-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl N,N-dimethylcarbamate
CID 2743309
N-[3-(4-chloroanilino)-1H-1,2,4-triazol-5-yl]-N'-isopropylurea
CID 2747534
N-(4-chlorophenyl)-3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 851334
1-(2-Chloro-phenyl)-3-(3-ethylsulfanyl-[1,2,4]thiadiazol-5-yl)-urea
CID 3779523
N-(4-chloro-2-fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 674817
3-amino-N-(2-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole-4-carboxamide
CID 1489727

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole-4-carboxamide?
The IUPAC name of 3-amino-N-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole-4-carboxamide (CID 1489726) is 3-amino-N-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole-4-carboxamide?
The canonical SMILES for 3-amino-N-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole-4-carboxamide is CSc1nnc(N)n1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-amino-N-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole-4-carboxamide?
The InChIKey is LGIPCWMQMPTZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5OS/c1-18-10-15-14-8(12)16(10)9(17)13-7-4-2-6(11)3-5-7/h2-5H,1H3,(H2,12,14)(H,13,17).
What are the key properties of 3-amino-N-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole-4-carboxamide?
3-amino-N-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole-4-carboxamide has a molecular weight of 283.74 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole-4-carboxamide is sourced from PubChem (CID 1489726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).