(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine

C6H12N4S — CID 63315756

IUPAC(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCCSc1nnc(CN)n1C
InChIInChI=1S/C6H12N4S/c1-3-11-6-9-8-5(4-7)10(6)2/h3-4,7H2,1-2H3
InChIKeyQZMUTAWUVWPSRF-UHFFFAOYSA-N
MW172.26 g/mol
LogP0.39
Rot. Bonds3

About (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine

(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 63315756) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine
PubChem CID63315756
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC Name(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCCSc1nnc(CN)n1C
InChIInChI=1S/C6H12N4S/c1-3-11-6-9-8-5(4-7)10(6)2/h3-4,7H2,1-2H3
InChIKeyQZMUTAWUVWPSRF-UHFFFAOYSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[4-methyl-5-(methylthio)-4H-1,2,4-triazol-3-yl]methyl}thiomorpholine
CID 872974
(5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride
CID 75480383
(4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride
CID 75480384
2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine
CID 1448424
2-((4,5-Dimethyl-4H-1,2,4-triazol-3-yl)thio)acetonitrile
CID 3228153
[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methanamine
CID 33752720
4-Amino-3-methylaminomethyl-5-methylthio-4h-1,2,4-triazole
CID 11240760
[4-Methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 63312974
[4-Ethyl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63312999
[4-Propan-2-yl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63313029
[5-(2,2-Difluoroethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 63313227
1-{5-[(difluoromethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methanamine
CID 63313237

Frequently Asked Questions

What is the IUPAC name of (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine (CID 63315756) is (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine is CCSc1nnc(CN)n1C.
What is the InChIKey of (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is QZMUTAWUVWPSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-3-11-6-9-8-5(4-7)10(6)2/h3-4,7H2,1-2H3.
What are the key properties of (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine?
(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 172.26 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 63315756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).