2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine

C6H12N4S — CID 1448424

IUPAC2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine
SMILESCSc1nnc(CCN)n1C
InChIInChI=1S/C6H12N4S/c1-10-5(3-4-7)8-9-6(10)11-2/h3-4,7H2,1-2H3
InChIKeyFUHQCWFFHCNASO-UHFFFAOYSA-N
MW172.26 g/mol
LogP0.04
Rot. Bonds3

About 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine

2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 1448424) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID1448424
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC Name2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine
SMILESCSc1nnc(CCN)n1C
InChIInChI=1S/C6H12N4S/c1-10-5(3-4-7)8-9-6(10)11-2/h3-4,7H2,1-2H3
InChIKeyFUHQCWFFHCNASO-UHFFFAOYSA-N
XLogP0.04
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methyl-4H-1,2,4-triazol-3-yl)ethan-1-amine
CID 16767398
3-[4-(2-methylpropyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]propan-1-amine hydroiodide
CID 42893063
3-(dimethyl-4H-1,2,4-triazol-3-yl)propan-1-amine
CID 61353394
3-[4-cyclopentyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]propan-1-amine hydroiodide
CID 71758703
(4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride
CID 75480384
2-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride
CID 75493607
2-(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride
CID 145884645
1,1-Diethyl-3-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]urea
CID 3232083
6-(4-Ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)hexan-1-amine
CID 4788174
3-[4-cyclopentyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]propan-1-amine
CID 4962748
[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methanamine
CID 33752720
(5-(Ethylthio)-4-methyl-4h-1,2,4-triazol-3-yl)methanamine
CID 63315756

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine (CID 1448424) is 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine is CSc1nnc(CCN)n1C.
What is the InChIKey of 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is FUHQCWFFHCNASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-10-5(3-4-7)8-9-6(10)11-2/h3-4,7H2,1-2H3.
What are the key properties of 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine?
2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 172.26 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 1448424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).