2-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C19H28N8O — CID 166594744

IUPAC2-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCc3ccnn3C)nc(OC3CCN(C)CC3)nc12
InChIInChI=1S/C19H28N8O/c1-13(2)16-12-22-27-17(16)23-19(28-15-6-9-25(3)10-7-15)24-18(27)20-11-14-5-8-21-26(14)4/h5,8,12-13,15H,6-7,9-11H2,1-4H3,(H,20,23,24)
InChIKeyBAWBHLYXTNQSAV-UHFFFAOYSA-N
MW384.49 g/mol
LogP2.07
Rot. Bonds6

About 2-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

2-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 166594744) has the molecular formula C19H28N8O and a molecular weight of 384.49 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID166594744
Molecular FormulaC19H28N8O
Molecular Weight384.49 g/mol
Exact Mass384.24
IUPAC Name2-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCc3ccnn3C)nc(OC3CCN(C)CC3)nc12
InChIInChI=1S/C19H28N8O/c1-13(2)16-12-22-27-17(16)23-19(28-15-6-9-25(3)10-7-15)24-18(27)20-11-14-5-8-21-26(14)4/h5,8,12-13,15H,6-7,9-11H2,1-4H3,(H,20,23,24)
InChIKeyBAWBHLYXTNQSAV-UHFFFAOYSA-N
XLogP2.07
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 166594744) is 2-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)c1cnn2c(NCc3ccnn3C)nc(OC3CCN(C)CC3)nc12.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is BAWBHLYXTNQSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N8O/c1-13(2)16-12-22-27-17(16)23-19(28-15-6-9-25(3)10-7-15)24-18(27)20-11-14-5-8-21-26(14)4/h5,8,12-13,15H,6-7,9-11H2,1-4H3,(H,20,23,24).
What are the key properties of 2-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
2-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 384.49 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 166594744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).