1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(1,2,4-triazol-4-yl)piperidine-4-carboxamide

C15H17N9O — CID 56764936

IUPAC1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(1,2,4-triazol-4-yl)piperidine-4-carboxamide
SMILESO=C(Nn1cnnc1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C15H17N9O/c25-15(21-24-10-19-20-11-24)12-1-4-22(5-2-12)13-7-14(18-8-17-13)23-6-3-16-9-23/h3,6-12H,1-2,4-5H2,(H,21,25)
InChIKeyJPEMVGSHEMRRCH-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.24
Rot. Bonds4

About 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(1,2,4-triazol-4-yl)piperidine-4-carboxamide

1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(1,2,4-triazol-4-yl)piperidine-4-carboxamide (PubChem CID 56764936) has the molecular formula C15H17N9O and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(1,2,4-triazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(1,2,4-triazol-4-yl)piperidine-4-carboxamide
PubChem CID56764936
Molecular FormulaC15H17N9O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(1,2,4-triazol-4-yl)piperidine-4-carboxamide
SMILESO=C(Nn1cnnc1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C15H17N9O/c25-15(21-24-10-19-20-11-24)12-1-4-22(5-2-12)13-7-14(18-8-17-13)23-6-3-16-9-23/h3,6-12H,1-2,4-5H2,(H,21,25)
InChIKeyJPEMVGSHEMRRCH-UHFFFAOYSA-N
XLogP0.24
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(1,2,4-triazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(1,2,4-triazol-4-yl)piperidine-4-carboxamide (CID 56764936) is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(1,2,4-triazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(1,2,4-triazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(1,2,4-triazol-4-yl)piperidine-4-carboxamide is O=C(Nn1cnnc1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1.
What is the InChIKey of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(1,2,4-triazol-4-yl)piperidine-4-carboxamide?
The InChIKey is JPEMVGSHEMRRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N9O/c25-15(21-24-10-19-20-11-24)12-1-4-22(5-2-12)13-7-14(18-8-17-13)23-6-3-16-9-23/h3,6-12H,1-2,4-5H2,(H,21,25).
What are the key properties of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(1,2,4-triazol-4-yl)piperidine-4-carboxamide?
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(1,2,4-triazol-4-yl)piperidine-4-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(1,2,4-triazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 56764936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).