4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol

C13H19N7O — CID 81109328

IUPAC4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
SMILESCNc1nc(N2CCC(C)(O)CC2)nc(-n2cccn2)n1
InChIInChI=1S/C13H19N7O/c1-13(21)4-8-19(9-5-13)11-16-10(14-2)17-12(18-11)20-7-3-6-15-20/h3,6-7,21H,4-5,8-9H2,1-2H3,(H,14,16,17,18)
InChIKeyOXAOKPSYBDMXPN-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.45
Rot. Bonds3

About 4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol

4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol (PubChem CID 81109328) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
PubChem CID81109328
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
SMILESCNc1nc(N2CCC(C)(O)CC2)nc(-n2cccn2)n1
InChIInChI=1S/C13H19N7O/c1-13(21)4-8-19(9-5-13)11-16-10(14-2)17-12(18-11)20-7-3-6-15-20/h3,6-7,21H,4-5,8-9H2,1-2H3,(H,14,16,17,18)
InChIKeyOXAOKPSYBDMXPN-UHFFFAOYSA-N
XLogP0.45
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol?
The IUPAC name of 4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol (CID 81109328) is 4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol?
The canonical SMILES for 4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol is CNc1nc(N2CCC(C)(O)CC2)nc(-n2cccn2)n1.
What is the InChIKey of 4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol?
The InChIKey is OXAOKPSYBDMXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-13(21)4-8-19(9-5-13)11-16-10(14-2)17-12(18-11)20-7-3-6-15-20/h3,6-7,21H,4-5,8-9H2,1-2H3,(H,14,16,17,18).
What are the key properties of 4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol?
4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol has a molecular weight of 289.34 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol is sourced from PubChem (CID 81109328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).