1-[5-(2,6-dimethyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine

C14H20N6 — CID 102793827

IUPAC1-[5-(2,6-dimethyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
SMILESCc1ccc(-c2nc(N3CCC(N)CC3)n[nH]2)c(C)n1
InChIInChI=1S/C14H20N6/c1-9-3-4-12(10(2)16-9)13-17-14(19-18-13)20-7-5-11(15)6-8-20/h3-4,11H,5-8,15H2,1-2H3,(H,17,18,19)
InChIKeyHJMVXHUMAFIAHF-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.41
Rot. Bonds2

About 1-[5-(2,6-dimethyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine

1-[5-(2,6-dimethyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine (PubChem CID 102793827) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-[5-(2,6-dimethyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-(2,6-dimethyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
PubChem CID102793827
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name1-[5-(2,6-dimethyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
SMILESCc1ccc(-c2nc(N3CCC(N)CC3)n[nH]2)c(C)n1
InChIInChI=1S/C14H20N6/c1-9-3-4-12(10(2)16-9)13-17-14(19-18-13)20-7-5-11(15)6-8-20/h3-4,11H,5-8,15H2,1-2H3,(H,17,18,19)
InChIKeyHJMVXHUMAFIAHF-UHFFFAOYSA-N
XLogP1.41
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793980
1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793968
1-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793807
1-[5-(2,5-dichlorothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 107960280
1-[5-(2-methyl-4-nitrophenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793057
1-[5-(5-bromo-2-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793125
1-[5-(5-chloro-2-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793370
1-[5-(3-methoxy-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793856
1-[5-(2-bromo-5-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793134
4-[3-(4-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]benzene-1,2-diol
CID 136904589
1-[5-(2,4-dibromophenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 107938625
N-methyl-1-[1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800069

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,6-dimethyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
The IUPAC name of 1-[5-(2,6-dimethyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine (CID 102793827) is 1-[5-(2,6-dimethyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-(2,6-dimethyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-(2,6-dimethyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine is Cc1ccc(-c2nc(N3CCC(N)CC3)n[nH]2)c(C)n1.
What is the InChIKey of 1-[5-(2,6-dimethyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
The InChIKey is HJMVXHUMAFIAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-9-3-4-12(10(2)16-9)13-17-14(19-18-13)20-7-5-11(15)6-8-20/h3-4,11H,5-8,15H2,1-2H3,(H,17,18,19).
What are the key properties of 1-[5-(2,6-dimethyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
1-[5-(2,6-dimethyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine has a molecular weight of 272.36 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,6-dimethyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine is sourced from PubChem (CID 102793827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).