4-(3-methoxy-4-methylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C13H19N7O — CID 102971465

IUPAC4-(3-methoxy-4-methylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCOC1CN(c2nc(N)nc(-n3cccn3)n2)CCC1C
InChIInChI=1S/C13H19N7O/c1-9-4-7-19(8-10(9)21-2)12-16-11(14)17-13(18-12)20-6-3-5-15-20/h3,5-6,9-10H,4,7-8H2,1-2H3,(H2,14,16,17,18)
InChIKeyPICVGKMSZUXXMD-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.50
Rot. Bonds3

About 4-(3-methoxy-4-methylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-(3-methoxy-4-methylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 102971465) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-(3-methoxy-4-methylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-methoxy-4-methylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID102971465
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name4-(3-methoxy-4-methylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCOC1CN(c2nc(N)nc(-n3cccn3)n2)CCC1C
InChIInChI=1S/C13H19N7O/c1-9-4-7-19(8-10(9)21-2)12-16-11(14)17-13(18-12)20-6-3-5-15-20/h3,5-6,9-10H,4,7-8H2,1-2H3,(H2,14,16,17,18)
InChIKeyPICVGKMSZUXXMD-UHFFFAOYSA-N
XLogP0.50
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 102971465) is 4-(3-methoxy-4-methylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-methoxy-4-methylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-methoxy-4-methylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is COC1CN(c2nc(N)nc(-n3cccn3)n2)CCC1C.
What is the InChIKey of 4-(3-methoxy-4-methylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is PICVGKMSZUXXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-9-4-7-19(8-10(9)21-2)12-16-11(14)17-13(18-12)20-6-3-5-15-20/h3,5-6,9-10H,4,7-8H2,1-2H3,(H2,14,16,17,18).
What are the key properties of 4-(3-methoxy-4-methylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-(3-methoxy-4-methylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 289.34 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-methylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 102971465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).