[1-[5-(2,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine

C16H23N5 — CID 102800021

IUPAC[1-[5-(2,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
SMILESCc1ccc(C)c(-c2nc(N3CCCC(CN)C3)n[nH]2)c1
InChIInChI=1S/C16H23N5/c1-11-5-6-12(2)14(8-11)15-18-16(20-19-15)21-7-3-4-13(9-17)10-21/h5-6,8,13H,3-4,7,9-10,17H2,1-2H3,(H,18,19,20)
InChIKeyQPZGWOVIZCYUSI-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.26
Rot. Bonds3

About [1-[5-(2,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine

[1-[5-(2,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine (PubChem CID 102800021) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is [1-[5-(2,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[5-(2,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
PubChem CID102800021
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name[1-[5-(2,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
SMILESCc1ccc(C)c(-c2nc(N3CCCC(CN)C3)n[nH]2)c1
InChIInChI=1S/C16H23N5/c1-11-5-6-12(2)14(8-11)15-18-16(20-19-15)21-7-3-4-13(9-17)10-21/h5-6,8,13H,3-4,7,9-10,17H2,1-2H3,(H,18,19,20)
InChIKeyQPZGWOVIZCYUSI-UHFFFAOYSA-N
XLogP2.26
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[5-(2-methylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799886
[1-[5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799989
[1-[5-(4-chloro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799868
[1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799956
[1-[5-(5-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799821
[1-[5-(2-bromo-5-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800626
3-[3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]-1H-pyridin-4-one
CID 136812266
[1-[5-(3-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799797
[1-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102800011
1-[5-(5-chloro-2-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793370
1-[5-(2-bromo-5-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793134
1-[5-(5-bromo-2-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793125

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[5-(2,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine (CID 102800021) is [1-[5-(2,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[5-(2,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[5-(2,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine is Cc1ccc(C)c(-c2nc(N3CCCC(CN)C3)n[nH]2)c1.
What is the InChIKey of [1-[5-(2,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The InChIKey is QPZGWOVIZCYUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11-5-6-12(2)14(8-11)15-18-16(20-19-15)21-7-3-4-13(9-17)10-21/h5-6,8,13H,3-4,7,9-10,17H2,1-2H3,(H,18,19,20).
What are the key properties of [1-[5-(2,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
[1-[5-(2,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine is sourced from PubChem (CID 102800021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).