1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide

C20H24N6O — CID 3227332

IUPAC1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1
InChIInChI=1S/C20H24N6O/c1-2-10-21-19(27)16-8-11-25(12-9-16)18-13-17(15-6-4-3-5-7-15)24-20-22-14-23-26(18)20/h3-7,13-14,16H,2,8-12H2,1H3,(H,21,27)
InChIKeyLVTBVSXSJOBEIR-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.53
Rot. Bonds5

About 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide

1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide (PubChem CID 3227332) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide
PubChem CID3227332
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1
InChIInChI=1S/C20H24N6O/c1-2-10-21-19(27)16-8-11-25(12-9-16)18-13-17(15-6-4-3-5-7-15)24-20-22-14-23-26(18)20/h3-7,13-14,16H,2,8-12H2,1H3,(H,21,27)
InChIKeyLVTBVSXSJOBEIR-UHFFFAOYSA-N
XLogP2.53
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide (CID 3227332) is 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1.
What is the InChIKey of 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide?
The InChIKey is LVTBVSXSJOBEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-2-10-21-19(27)16-8-11-25(12-9-16)18-13-17(15-6-4-3-5-7-15)24-20-22-14-23-26(18)20/h3-7,13-14,16H,2,8-12H2,1H3,(H,21,27).
What are the key properties of 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide?
1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 3227332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).