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

C13H25N5 — CID 102800420

IUPACN-methyl-1-(5-pentan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-amine
SMILESCCCC(C)c1nc(N2CCC(NC)CC2)n[nH]1
InChIInChI=1S/C13H25N5/c1-4-5-10(2)12-15-13(17-16-12)18-8-6-11(14-3)7-9-18/h10-11,14H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyTVWHENNSPMDTKK-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.90
Rot. Bonds5

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

N-methyl-1-(5-pentan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-amine (PubChem CID 102800420) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-methyl-1-(5-pentan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(5-pentan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-amine
PubChem CID102800420
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-methyl-1-(5-pentan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-amine
SMILESCCCC(C)c1nc(N2CCC(NC)CC2)n[nH]1
InChIInChI=1S/C13H25N5/c1-4-5-10(2)12-15-13(17-16-12)18-8-6-11(14-3)7-9-18/h10-11,14H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyTVWHENNSPMDTKK-UHFFFAOYSA-N
XLogP1.90
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 114221763
N-[[1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine
CID 102799372
[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
CID 102800344
1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
CID 102800196
(3R)-1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797756
[1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800780
[1-[5-(3-methylbutan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800698
1-[5-(3-bicyclo[3.1.0]hexanyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800438
1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 103019797
1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800340
[1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine
CID 102799765
1-[5-(5-iodothiophen-3-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800470

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-pentan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-amine?
The IUPAC name of N-methyl-1-(5-pentan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-amine (CID 102800420) is N-methyl-1-(5-pentan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-amine.
What is the SMILES notation for N-methyl-1-(5-pentan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-amine?
The canonical SMILES for N-methyl-1-(5-pentan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-amine is CCCC(C)c1nc(N2CCC(NC)CC2)n[nH]1.
What is the InChIKey of N-methyl-1-(5-pentan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-amine?
The InChIKey is TVWHENNSPMDTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-4-5-10(2)12-15-13(17-16-12)18-8-6-11(14-3)7-9-18/h10-11,14H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of N-methyl-1-(5-pentan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-amine?
N-methyl-1-(5-pentan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-amine has a molecular weight of 251.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-pentan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-amine is sourced from PubChem (CID 102800420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).