4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine

C11H16N8O — CID 106598803

IUPAC4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCn1cnc(Oc2nc(N)nc(N3CCCCC3)n2)n1
InChIInChI=1S/C11H16N8O/c1-18-7-13-10(17-18)20-11-15-8(12)14-9(16-11)19-5-3-2-4-6-19/h7H,2-6H2,1H3,(H2,12,14,15,16)
InChIKeyZZOVYYJSZXBMCZ-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.36
Rot. Bonds3

About 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 106598803) has the molecular formula C11H16N8O and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID106598803
Molecular FormulaC11H16N8O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCn1cnc(Oc2nc(N)nc(N3CCCCC3)n2)n1
InChIInChI=1S/C11H16N8O/c1-18-7-13-10(17-18)20-11-15-8(12)14-9(16-11)19-5-3-2-4-6-19/h7H,2-6H2,1H3,(H2,12,14,15,16)
InChIKeyZZOVYYJSZXBMCZ-UHFFFAOYSA-N
XLogP0.36
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 106598803) is 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine is Cn1cnc(Oc2nc(N)nc(N3CCCCC3)n2)n1.
What is the InChIKey of 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ZZOVYYJSZXBMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N8O/c1-18-7-13-10(17-18)20-11-15-8(12)14-9(16-11)19-5-3-2-4-6-19/h7H,2-6H2,1H3,(H2,12,14,15,16).
What are the key properties of 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 276.30 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 106598803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).