3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-amine

C9H10N4S — CID 869419

IUPAC3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-amine
SMILESCSc1nnc(-c2ccccc2)n1N
InChIInChI=1S/C9H10N4S/c1-14-9-12-11-8(13(9)10)7-5-3-2-4-6-7/h2-6H,10H2,1H3
InChIKeyZAMJVZKIXCBPAH-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.38
Rot. Bonds2

About 3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-amine

3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-amine (PubChem CID 869419) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-amine
PubChem CID869419
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-amine
SMILESCSc1nnc(-c2ccccc2)n1N
InChIInChI=1S/C9H10N4S/c1-14-9-12-11-8(13(9)10)7-5-3-2-4-6-7/h2-6H,10H2,1H3
InChIKeyZAMJVZKIXCBPAH-UHFFFAOYSA-N
XLogP1.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-4-amine
CID 47105910
2-amino-4-(4-amino-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenethiol
CID 176894684
3-[2-(4-methylphenyl)quinolin-4-yl]-5-methylsulfanyl-1,2,4-triazol-4-amine
CID 2101107
3-(4-methylphenyl)-5-[(1S)-1-phenylethyl]sulfanyl-1,2,4-triazol-4-amine
CID 7987438
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylacetamide
CID 78763376
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine
CID 78762775
2-[[4-amino-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 79217739
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 78762944
3-[2-(4-fluorophenoxy)ethylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine
CID 78763094
3-benzylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-amine
CID 807941
3-[3-(4-fluorophenoxy)propylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine
CID 78763033
3-(4-chlorophenyl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole
CID 47003671

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-amine (CID 869419) is 3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-amine is CSc1nnc(-c2ccccc2)n1N.
What is the InChIKey of 3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-amine?
The InChIKey is ZAMJVZKIXCBPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-14-9-12-11-8(13(9)10)7-5-3-2-4-6-7/h2-6H,10H2,1H3.
What are the key properties of 3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-amine?
3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-amine has a molecular weight of 206.27 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 869419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).