3-(methylaminomethyl)-5-methylsulfanyl-1,2,4-triazol-4-amine

C5H11N5S — CID 11240760

IUPAC3-(methylaminomethyl)-5-methylsulfanyl-1,2,4-triazol-4-amine
SMILESCNCc1nnc(SC)n1N
InChIInChI=1S/C5H11N5S/c1-7-3-4-8-9-5(11-2)10(4)6/h7H,3,6H2,1-2H3
InChIKeyXXMCQQRDOGXLDT-UHFFFAOYSA-N
MW173.25 g/mol
LogP-0.57
Rot. Bonds3

About 3-(methylaminomethyl)-5-methylsulfanyl-1,2,4-triazol-4-amine

3-(methylaminomethyl)-5-methylsulfanyl-1,2,4-triazol-4-amine (PubChem CID 11240760) has the molecular formula C5H11N5S and a molecular weight of 173.25 g/mol. Its IUPAC name is 3-(methylaminomethyl)-5-methylsulfanyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(methylaminomethyl)-5-methylsulfanyl-1,2,4-triazol-4-amine
PubChem CID11240760
Molecular FormulaC5H11N5S
Molecular Weight173.25 g/mol
Exact Mass173.07
IUPAC Name3-(methylaminomethyl)-5-methylsulfanyl-1,2,4-triazol-4-amine
SMILESCNCc1nnc(SC)n1N
InChIInChI=1S/C5H11N5S/c1-7-3-4-8-9-5(11-2)10(4)6/h7H,3,6H2,1-2H3
InChIKeyXXMCQQRDOGXLDT-UHFFFAOYSA-N
XLogP-0.57
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 83880783
3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-5-ethyl-1,2,4-triazol-4-amine
CID 13361088
N-methyl-1-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methanamine
CID 63958072
3-(chloromethyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
CID 23462213
3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-amine
CID 869419
4-amino-6-[(4-ethoxyphenyl)methyl]-3-methylsulfanyl-1,2,4-triazin-5-one
CID 96708253
(2S)-2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-benzylbutanamide
CID 40811077
4-amino-6-hexyl-3-methylsulfanyl-1,2,4-triazin-5-one
CID 23274395
1-[5-[(4-fluoro-3-methylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-N-methylmethanamine;hydrochloride
CID 154905274
(2R)-N-ethyl-2-[[4-methyl-5-(methylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 126426005
N-methyl-1-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)methanamine
CID 83828779
2-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanamine
CID 83886429

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-5-methylsulfanyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-(methylaminomethyl)-5-methylsulfanyl-1,2,4-triazol-4-amine (CID 11240760) is 3-(methylaminomethyl)-5-methylsulfanyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(methylaminomethyl)-5-methylsulfanyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(methylaminomethyl)-5-methylsulfanyl-1,2,4-triazol-4-amine is CNCc1nnc(SC)n1N.
What is the InChIKey of 3-(methylaminomethyl)-5-methylsulfanyl-1,2,4-triazol-4-amine?
The InChIKey is XXMCQQRDOGXLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5S/c1-7-3-4-8-9-5(11-2)10(4)6/h7H,3,6H2,1-2H3.
What are the key properties of 3-(methylaminomethyl)-5-methylsulfanyl-1,2,4-triazol-4-amine?
3-(methylaminomethyl)-5-methylsulfanyl-1,2,4-triazol-4-amine has a molecular weight of 173.25 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-5-methylsulfanyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 11240760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).