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

C21H26N6 — CID 167754956

IUPACN-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]-4-piperidin-1-ylpyridin-2-amine
SMILESCc1cc(C)cc(-n2ncc(CNc3cc(N4CCCCC4)ccn3)n2)c1
InChIInChI=1S/C21H26N6/c1-16-10-17(2)12-20(11-16)27-24-15-18(25-27)14-23-21-13-19(6-7-22-21)26-8-4-3-5-9-26/h6-7,10-13,15H,3-5,8-9,14H2,1-2H3,(H,22,23)
InChIKeyHZIQNBQKWOUDEJ-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.88
Rot. Bonds5

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

N-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]-4-piperidin-1-ylpyridin-2-amine (PubChem CID 167754956) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]-4-piperidin-1-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]-4-piperidin-1-ylpyridin-2-amine
PubChem CID167754956
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC NameN-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]-4-piperidin-1-ylpyridin-2-amine
SMILESCc1cc(C)cc(-n2ncc(CNc3cc(N4CCCCC4)ccn3)n2)c1
InChIInChI=1S/C21H26N6/c1-16-10-17(2)12-20(11-16)27-24-15-18(25-27)14-23-21-13-19(6-7-22-21)26-8-4-3-5-9-26/h6-7,10-13,15H,3-5,8-9,14H2,1-2H3,(H,22,23)
InChIKeyHZIQNBQKWOUDEJ-UHFFFAOYSA-N
XLogP3.88
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]-4-piperidin-1-ylpyridin-2-amine?
The IUPAC name of N-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]-4-piperidin-1-ylpyridin-2-amine (CID 167754956) is N-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]-4-piperidin-1-ylpyridin-2-amine.
What is the SMILES notation for N-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]-4-piperidin-1-ylpyridin-2-amine?
The canonical SMILES for N-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]-4-piperidin-1-ylpyridin-2-amine is Cc1cc(C)cc(-n2ncc(CNc3cc(N4CCCCC4)ccn3)n2)c1.
What is the InChIKey of N-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]-4-piperidin-1-ylpyridin-2-amine?
The InChIKey is HZIQNBQKWOUDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-16-10-17(2)12-20(11-16)27-24-15-18(25-27)14-23-21-13-19(6-7-22-21)26-8-4-3-5-9-26/h6-7,10-13,15H,3-5,8-9,14H2,1-2H3,(H,22,23).
What are the key properties of N-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]-4-piperidin-1-ylpyridin-2-amine?
N-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]-4-piperidin-1-ylpyridin-2-amine has a molecular weight of 362.48 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]-4-piperidin-1-ylpyridin-2-amine is sourced from PubChem (CID 167754956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).