1-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]piperidin-4-ol

C17H28N6O — CID 10042408

IUPAC1-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]piperidin-4-ol
SMILESCNc1nc(C)nc2c(CCCCCN3CCC(O)CC3)cnn12
InChIInChI=1S/C17H28N6O/c1-13-20-16-14(12-19-23(16)17(18-2)21-13)6-4-3-5-9-22-10-7-15(24)8-11-22/h12,15,24H,3-11H2,1-2H3,(H,18,20,21)
InChIKeyGFXBLTNIGPMJEO-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.64
Rot. Bonds7

About 1-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]piperidin-4-ol

1-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]piperidin-4-ol (PubChem CID 10042408) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]piperidin-4-ol
PubChem CID10042408
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name1-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]piperidin-4-ol
SMILESCNc1nc(C)nc2c(CCCCCN3CCC(O)CC3)cnn12
InChIInChI=1S/C17H28N6O/c1-13-20-16-14(12-19-23(16)17(18-2)21-13)6-4-3-5-9-22-10-7-15(24)8-11-22/h12,15,24H,3-11H2,1-2H3,(H,18,20,21)
InChIKeyGFXBLTNIGPMJEO-UHFFFAOYSA-N
XLogP1.64
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]piperidin-4-ol?
The IUPAC name of 1-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]piperidin-4-ol (CID 10042408) is 1-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]piperidin-4-ol.
What is the SMILES notation for 1-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]piperidin-4-ol?
The canonical SMILES for 1-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]piperidin-4-ol is CNc1nc(C)nc2c(CCCCCN3CCC(O)CC3)cnn12.
What is the InChIKey of 1-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]piperidin-4-ol?
The InChIKey is GFXBLTNIGPMJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O/c1-13-20-16-14(12-19-23(16)17(18-2)21-13)6-4-3-5-9-22-10-7-15(24)8-11-22/h12,15,24H,3-11H2,1-2H3,(H,18,20,21).
What are the key properties of 1-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]piperidin-4-ol?
1-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]piperidin-4-ol has a molecular weight of 332.45 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]piperidin-4-ol is sourced from PubChem (CID 10042408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).