4-methyl-1-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

C10H19N5S — CID 102799068

IUPAC4-methyl-1-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCSCc1nc(N2CCC(C)C(N)C2)n[nH]1
InChIInChI=1S/C10H19N5S/c1-7-3-4-15(5-8(7)11)10-12-9(6-16-2)13-14-10/h7-8H,3-6,11H2,1-2H3,(H,12,13,14)
InChIKeyKBYXEDMUCFOUOO-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.84
Rot. Bonds3

About 4-methyl-1-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

4-methyl-1-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (PubChem CID 102799068) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-methyl-1-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
PubChem CID102799068
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC Name4-methyl-1-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCSCc1nc(N2CCC(C)C(N)C2)n[nH]1
InChIInChI=1S/C10H19N5S/c1-7-3-4-15(5-8(7)11)10-12-9(6-16-2)13-14-10/h7-8H,3-6,11H2,1-2H3,(H,12,13,14)
InChIKeyKBYXEDMUCFOUOO-UHFFFAOYSA-N
XLogP0.84
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol
CID 102799088
1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798984
4-methyl-1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 102799076
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798903
4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102798846
1-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 102799010
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798873
1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798989
4-methyl-1-[5-(1-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 107971931
4-methyl-1-[5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102799092
1-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 102798836
1-[5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 102798910

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The IUPAC name of 4-methyl-1-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (CID 102799068) is 4-methyl-1-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 4-methyl-1-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The canonical SMILES for 4-methyl-1-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is CSCc1nc(N2CCC(C)C(N)C2)n[nH]1.
What is the InChIKey of 4-methyl-1-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The InChIKey is KBYXEDMUCFOUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c1-7-3-4-15(5-8(7)11)10-12-9(6-16-2)13-14-10/h7-8H,3-6,11H2,1-2H3,(H,12,13,14).
What are the key properties of 4-methyl-1-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
4-methyl-1-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine has a molecular weight of 241.36 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 102799068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).