3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-amine

C5H10N4S — CID 951766

IUPAC3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-amine
SMILESCCSc1nnc(C)n1N
InChIInChI=1S/C5H10N4S/c1-3-10-5-8-7-4(2)9(5)6/h3,6H2,1-2H3
InChIKeyAYRMQCVCHWVABF-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.41
Rot. Bonds2

About 3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-amine

3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-amine (PubChem CID 951766) has the molecular formula C5H10N4S and a molecular weight of 158.23 g/mol. Its IUPAC name is 3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-amine
PubChem CID951766
Molecular FormulaC5H10N4S
Molecular Weight158.23 g/mol
Exact Mass158.06
IUPAC Name3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-amine
SMILESCCSc1nnc(C)n1N
InChIInChI=1S/C5H10N4S/c1-3-10-5-8-7-4(2)9(5)6/h3,6H2,1-2H3
InChIKeyAYRMQCVCHWVABF-UHFFFAOYSA-N
XLogP0.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 646397
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
CID 29179177
3-(cyclobutylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-amine
CID 130616955
3-methyl-5-pentan-2-ylsulfanyl-1,2,4-triazol-4-amine
CID 71863483
3-methyl-5-propan-2-ylsulfanyl-1,2,4-triazol-4-amine
CID 29179072
3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
CID 7672143
4-amino-6-tert-butyl-3-ethylsulfanyl-1,2,4-triazin-5-one
CID 67617205
3-ethylsulfanyl-5-methyl-4-phenyl-1,2,4-triazole
CID 7205487
3-(1-adamantyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine
CID 59656046
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 2603871
N'-[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 7845119
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 9273096

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-amine (CID 951766) is 3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-amine is CCSc1nnc(C)n1N.
What is the InChIKey of 3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-amine?
The InChIKey is AYRMQCVCHWVABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S/c1-3-10-5-8-7-4(2)9(5)6/h3,6H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-amine?
3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-amine has a molecular weight of 158.23 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 951766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).