3-methylsulfanyl-5-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazol-4-amine

C11H21N5S — CID 10106421

IUPAC3-methylsulfanyl-5-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazol-4-amine
SMILESCSc1nnc(C(C)CN2CCCCC2)n1N
InChIInChI=1S/C11H21N5S/c1-9(8-15-6-4-3-5-7-15)10-13-14-11(17-2)16(10)12/h9H,3-8,12H2,1-2H3
InChIKeyRUAHBKBKSIEWAD-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.30
Rot. Bonds4

About 3-methylsulfanyl-5-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazol-4-amine

3-methylsulfanyl-5-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazol-4-amine (PubChem CID 10106421) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-methylsulfanyl-5-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-methylsulfanyl-5-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazol-4-amine
PubChem CID10106421
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC Name3-methylsulfanyl-5-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazol-4-amine
SMILESCSc1nnc(C(C)CN2CCCCC2)n1N
InChIInChI=1S/C11H21N5S/c1-9(8-15-6-4-3-5-7-15)10-13-14-11(17-2)16(10)12/h9H,3-8,12H2,1-2H3
InChIKeyRUAHBKBKSIEWAD-UHFFFAOYSA-N
XLogP1.30
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-5-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-methylsulfanyl-5-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazol-4-amine (CID 10106421) is 3-methylsulfanyl-5-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-methylsulfanyl-5-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-methylsulfanyl-5-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazol-4-amine is CSc1nnc(C(C)CN2CCCCC2)n1N.
What is the InChIKey of 3-methylsulfanyl-5-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazol-4-amine?
The InChIKey is RUAHBKBKSIEWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-9(8-15-6-4-3-5-7-15)10-13-14-11(17-2)16(10)12/h9H,3-8,12H2,1-2H3.
What are the key properties of 3-methylsulfanyl-5-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazol-4-amine?
3-methylsulfanyl-5-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazol-4-amine has a molecular weight of 255.39 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-5-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 10106421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).