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

C17H20N6O — CID 118471562

IUPAC(1-methylpyrrol-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)c3cccn3C)C2)n2ncnc2n1
InChIInChI=1S/C17H20N6O/c1-12-9-15(23-17(20-12)18-11-19-23)13-5-3-8-22(10-13)16(24)14-6-4-7-21(14)2/h4,6-7,9,11,13H,3,5,8,10H2,1-2H3
InChIKeyUDDMFDBTJSXPPI-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.79
Rot. Bonds2

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

(1-methylpyrrol-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 118471562) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID118471562
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name(1-methylpyrrol-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)c3cccn3C)C2)n2ncnc2n1
InChIInChI=1S/C17H20N6O/c1-12-9-15(23-17(20-12)18-11-19-23)13-5-3-8-22(10-13)16(24)14-6-4-7-21(14)2/h4,6-7,9,11,13H,3,5,8,10H2,1-2H3
InChIKeyUDDMFDBTJSXPPI-UHFFFAOYSA-N
XLogP1.79
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 118471562) is (1-methylpyrrol-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is Cc1cc(C2CCCN(C(=O)c3cccn3C)C2)n2ncnc2n1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is UDDMFDBTJSXPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12-9-15(23-17(20-12)18-11-19-23)13-5-3-8-22(10-13)16(24)14-6-4-7-21(14)2/h4,6-7,9,11,13H,3,5,8,10H2,1-2H3.
What are the key properties of (1-methylpyrrol-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
(1-methylpyrrol-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 324.39 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118471562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).