N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-propylsulfanylacetamide;hydrochloride

C13H24ClN5OS — CID 120645027

IUPACN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-propylsulfanylacetamide;hydrochloride
SMILESCCCSCC(=O)Nc1nc(C2CCNCC2)nn1C.Cl
InChIInChI=1S/C13H23N5OS.ClH/c1-3-8-20-9-11(19)15-13-16-12(17-18(13)2)10-4-6-14-7-5-10;/h10,14H,3-9H2,1-2H3,(H,15,16,17,19);1H
InChIKeyZVHSPOJGMMSNBM-UHFFFAOYSA-N
MW333.89 g/mol
LogP1.79
Rot. Bonds6

About N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-propylsulfanylacetamide;hydrochloride

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-propylsulfanylacetamide;hydrochloride (PubChem CID 120645027) has the molecular formula C13H24ClN5OS and a molecular weight of 333.89 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-propylsulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-propylsulfanylacetamide;hydrochloride
PubChem CID120645027
Molecular FormulaC13H24ClN5OS
Molecular Weight333.89 g/mol
Exact Mass333.14
IUPAC NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-propylsulfanylacetamide;hydrochloride
SMILESCCCSCC(=O)Nc1nc(C2CCNCC2)nn1C.Cl
InChIInChI=1S/C13H23N5OS.ClH/c1-3-8-20-9-11(19)15-13-16-12(17-18(13)2)10-4-6-14-7-5-10;/h10,14H,3-9H2,1-2H3,(H,15,16,17,19);1H
InChIKeyZVHSPOJGMMSNBM-UHFFFAOYSA-N
XLogP1.79
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-propylsulfanylacetamide;hydrochloride?
The IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-propylsulfanylacetamide;hydrochloride (CID 120645027) is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-propylsulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-propylsulfanylacetamide;hydrochloride?
The canonical SMILES for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-propylsulfanylacetamide;hydrochloride is CCCSCC(=O)Nc1nc(C2CCNCC2)nn1C.Cl.
What is the InChIKey of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-propylsulfanylacetamide;hydrochloride?
The InChIKey is ZVHSPOJGMMSNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS.ClH/c1-3-8-20-9-11(19)15-13-16-12(17-18(13)2)10-4-6-14-7-5-10;/h10,14H,3-9H2,1-2H3,(H,15,16,17,19);1H.
What are the key properties of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-propylsulfanylacetamide;hydrochloride?
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-propylsulfanylacetamide;hydrochloride has a molecular weight of 333.89 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-propylsulfanylacetamide;hydrochloride is sourced from PubChem (CID 120645027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).