2-imidazol-1-yl-5-[6-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-3-yl]-1H-pyridin-4-one

C17H20N8O — CID 162390593

IUPAC2-imidazol-1-yl-5-[6-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-3-yl]-1H-pyridin-4-one
SMILESCN(c1cnc(-c2c[nH]c(-n3ccnc3)cc2=O)nn1)C1CCNCC1
InChIInChI=1S/C17H20N8O/c1-24(12-2-4-18-5-3-12)16-10-21-17(23-22-16)13-9-20-15(8-14(13)26)25-7-6-19-11-25/h6-12,18H,2-5H2,1H3,(H,20,26)
InChIKeyHQELOFUKLIQMSF-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.60
Rot. Bonds4

About 2-imidazol-1-yl-5-[6-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-3-yl]-1H-pyridin-4-one

2-imidazol-1-yl-5-[6-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-3-yl]-1H-pyridin-4-one (PubChem CID 162390593) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-imidazol-1-yl-5-[6-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-3-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-imidazol-1-yl-5-[6-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-3-yl]-1H-pyridin-4-one
PubChem CID162390593
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name2-imidazol-1-yl-5-[6-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-3-yl]-1H-pyridin-4-one
SMILESCN(c1cnc(-c2c[nH]c(-n3ccnc3)cc2=O)nn1)C1CCNCC1
InChIInChI=1S/C17H20N8O/c1-24(12-2-4-18-5-3-12)16-10-21-17(23-22-16)13-9-20-15(8-14(13)26)25-7-6-19-11-25/h6-12,18H,2-5H2,1H3,(H,20,26)
InChIKeyHQELOFUKLIQMSF-UHFFFAOYSA-N
XLogP0.60
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-5-[6-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-3-yl]-1H-pyridin-4-one?
The IUPAC name of 2-imidazol-1-yl-5-[6-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-3-yl]-1H-pyridin-4-one (CID 162390593) is 2-imidazol-1-yl-5-[6-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-3-yl]-1H-pyridin-4-one.
What is the SMILES notation for 2-imidazol-1-yl-5-[6-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-3-yl]-1H-pyridin-4-one?
The canonical SMILES for 2-imidazol-1-yl-5-[6-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-3-yl]-1H-pyridin-4-one is CN(c1cnc(-c2c[nH]c(-n3ccnc3)cc2=O)nn1)C1CCNCC1.
What is the InChIKey of 2-imidazol-1-yl-5-[6-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-3-yl]-1H-pyridin-4-one?
The InChIKey is HQELOFUKLIQMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c1-24(12-2-4-18-5-3-12)16-10-21-17(23-22-16)13-9-20-15(8-14(13)26)25-7-6-19-11-25/h6-12,18H,2-5H2,1H3,(H,20,26).
What are the key properties of 2-imidazol-1-yl-5-[6-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-3-yl]-1H-pyridin-4-one?
2-imidazol-1-yl-5-[6-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-3-yl]-1H-pyridin-4-one has a molecular weight of 352.40 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-5-[6-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-3-yl]-1H-pyridin-4-one is sourced from PubChem (CID 162390593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).