1-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine

C13H20N6O — CID 102798769

IUPAC1-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
SMILESCc1nc(C)c(-c2nc(N3CCCC(N)C3C)n[nH]2)o1
InChIInChI=1S/C13H20N6O/c1-7-11(20-9(3)15-7)12-16-13(18-17-12)19-6-4-5-10(14)8(19)2/h8,10H,4-6,14H2,1-3H3,(H,16,17,18)
InChIKeySSUGAAFFIBJKCR-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.39
Rot. Bonds2

About 1-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine

1-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine (PubChem CID 102798769) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
PubChem CID102798769
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name1-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
SMILESCc1nc(C)c(-c2nc(N3CCCC(N)C3C)n[nH]2)o1
InChIInChI=1S/C13H20N6O/c1-7-11(20-9(3)15-7)12-16-13(18-17-12)19-6-4-5-10(14)8(19)2/h8,10H,4-6,14H2,1-3H3,(H,16,17,18)
InChIKeySSUGAAFFIBJKCR-UHFFFAOYSA-N
XLogP1.39
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine with MolForge

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Related Compounds

1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798548
1-[5-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102801454
2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102798801
[1-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800764
1-[5-(3-bromo-4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798661
1-[5-(4-bromo-3-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798815
1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798744
1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798724
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-2-methylpiperidin-3-amine
CID 102798588
1-[5-(3-bromo-5-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798795
2-methyl-1-[5-(2-methylcyclopentyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 107176897
2-methyl-1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102798705

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine?
The IUPAC name of 1-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine (CID 102798769) is 1-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine.
What is the SMILES notation for 1-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine?
The canonical SMILES for 1-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine is Cc1nc(C)c(-c2nc(N3CCCC(N)C3C)n[nH]2)o1.
What is the InChIKey of 1-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine?
The InChIKey is SSUGAAFFIBJKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-7-11(20-9(3)15-7)12-16-13(18-17-12)19-6-4-5-10(14)8(19)2/h8,10H,4-6,14H2,1-3H3,(H,16,17,18).
What are the key properties of 1-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine?
1-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine has a molecular weight of 276.34 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine is sourced from PubChem (CID 102798769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).