4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylic acid

C15H22N6O2 — CID 156513507

IUPAC4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylic acid
SMILESCc1nc(NC2CCN(C(=O)O)CC2)n2ncc(C(C)C)c2n1
InChIInChI=1S/C15H22N6O2/c1-9(2)12-8-16-21-13(12)17-10(3)18-14(21)19-11-4-6-20(7-5-11)15(22)23/h8-9,11H,4-7H2,1-3H3,(H,22,23)(H,17,18,19)
InChIKeyZFPSECFRDOEWJR-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.11
Rot. Bonds3

About 4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylic acid

4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylic acid (PubChem CID 156513507) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylic acid
PubChem CID156513507
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylic acid
SMILESCc1nc(NC2CCN(C(=O)O)CC2)n2ncc(C(C)C)c2n1
InChIInChI=1S/C15H22N6O2/c1-9(2)12-8-16-21-13(12)17-10(3)18-14(21)19-11-4-6-20(7-5-11)15(22)23/h8-9,11H,4-7H2,1-3H3,(H,22,23)(H,17,18,19)
InChIKeyZFPSECFRDOEWJR-UHFFFAOYSA-N
XLogP2.11
TPSA95.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylic acid (CID 156513507) is 4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylic acid is Cc1nc(NC2CCN(C(=O)O)CC2)n2ncc(C(C)C)c2n1.
What is the InChIKey of 4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylic acid?
The InChIKey is ZFPSECFRDOEWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-9(2)12-8-16-21-13(12)17-10(3)18-14(21)19-11-4-6-20(7-5-11)15(22)23/h8-9,11H,4-7H2,1-3H3,(H,22,23)(H,17,18,19).
What are the key properties of 4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylic acid?
4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylic acid has a molecular weight of 318.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 156513507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).