(2,5-dimethylpyrazol-3-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

C17H21N7O — CID 118472614

IUPAC(2,5-dimethylpyrazol-3-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)c3cc(C)nn3C)C2)n2ncnc2n1
InChIInChI=1S/C17H21N7O/c1-11-7-14(24-17(20-11)18-10-19-24)13-5-4-6-23(9-13)16(25)15-8-12(2)21-22(15)3/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyRHPFTKHIXBRQIW-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.49
Rot. Bonds2

About (2,5-dimethylpyrazol-3-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

(2,5-dimethylpyrazol-3-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 118472614) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID118472614
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)c3cc(C)nn3C)C2)n2ncnc2n1
InChIInChI=1S/C17H21N7O/c1-11-7-14(24-17(20-11)18-10-19-24)13-5-4-6-23(9-13)16(25)15-8-12(2)21-22(15)3/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyRHPFTKHIXBRQIW-UHFFFAOYSA-N
XLogP1.49
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 118472614) is (2,5-dimethylpyrazol-3-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is Cc1cc(C2CCCN(C(=O)c3cc(C)nn3C)C2)n2ncnc2n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is RHPFTKHIXBRQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-11-7-14(24-17(20-11)18-10-19-24)13-5-4-6-23(9-13)16(25)15-8-12(2)21-22(15)3/h7-8,10,13H,4-6,9H2,1-3H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 339.40 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118472614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).