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

C12H23N5S — CID 114221763

IUPACN-methyl-1-[5-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
SMILESCNC1CCN(c2n[nH]c(C(C)CSC)n2)CC1
InChIInChI=1S/C12H23N5S/c1-9(8-18-3)11-14-12(16-15-11)17-6-4-10(13-2)5-7-17/h9-10,13H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyCLHPXACFJKIPAP-UHFFFAOYSA-N
MW269.42 g/mol
LogP1.46
Rot. Bonds5

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

N-methyl-1-[5-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine (PubChem CID 114221763) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is N-methyl-1-[5-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[5-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
PubChem CID114221763
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC NameN-methyl-1-[5-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
SMILESCNC1CCN(c2n[nH]c(C(C)CSC)n2)CC1
InChIInChI=1S/C12H23N5S/c1-9(8-18-3)11-14-12(16-15-11)17-6-4-10(13-2)5-7-17/h9-10,13H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyCLHPXACFJKIPAP-UHFFFAOYSA-N
XLogP1.46
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[5-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine with MolForge

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Related Compounds

N-methyl-1-(5-pentan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-amine
CID 102800420
[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
CID 102800344
N-[[1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine
CID 102799372
1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
CID 102800196
1-[5-(5-iodothiophen-3-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800470
1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 103019797
1-[5-(3-bicyclo[3.1.0]hexanyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800438
1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800340
[1-[5-(3-methylbutan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800698
1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800349
1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800246
(3R)-1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797756

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
The IUPAC name of N-methyl-1-[5-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine (CID 114221763) is N-methyl-1-[5-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-[5-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-[5-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine is CNC1CCN(c2n[nH]c(C(C)CSC)n2)CC1.
What is the InChIKey of N-methyl-1-[5-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
The InChIKey is CLHPXACFJKIPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c1-9(8-18-3)11-14-12(16-15-11)17-6-4-10(13-2)5-7-17/h9-10,13H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of N-methyl-1-[5-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
N-methyl-1-[5-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine has a molecular weight of 269.42 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine is sourced from PubChem (CID 114221763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).