1-[[2-(1-methylpiperidin-4-yl)-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione

C19H22N6O2 — CID 72856627

IUPAC1-[[2-(1-methylpiperidin-4-yl)-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione
SMILESCN1CCC(n2nc(-c3ccccc3)nc2Cn2ccc(=O)[nH]c2=O)CC1
InChIInChI=1S/C19H22N6O2/c1-23-10-7-15(8-11-23)25-16(13-24-12-9-17(26)21-19(24)27)20-18(22-25)14-5-3-2-4-6-14/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,21,26,27)
InChIKeyIDGMGNRVVZERNK-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.11
Rot. Bonds4

About 1-[[2-(1-methylpiperidin-4-yl)-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione

1-[[2-(1-methylpiperidin-4-yl)-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione (PubChem CID 72856627) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-[[2-(1-methylpiperidin-4-yl)-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[2-(1-methylpiperidin-4-yl)-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione
PubChem CID72856627
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name1-[[2-(1-methylpiperidin-4-yl)-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione
SMILESCN1CCC(n2nc(-c3ccccc3)nc2Cn2ccc(=O)[nH]c2=O)CC1
InChIInChI=1S/C19H22N6O2/c1-23-10-7-15(8-11-23)25-16(13-24-12-9-17(26)21-19(24)27)20-18(22-25)14-5-3-2-4-6-14/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,21,26,27)
InChIKeyIDGMGNRVVZERNK-UHFFFAOYSA-N
XLogP1.11
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-methylpiperidin-4-yl)-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[[2-(1-methylpiperidin-4-yl)-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione (CID 72856627) is 1-[[2-(1-methylpiperidin-4-yl)-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[[2-(1-methylpiperidin-4-yl)-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[[2-(1-methylpiperidin-4-yl)-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione is CN1CCC(n2nc(-c3ccccc3)nc2Cn2ccc(=O)[nH]c2=O)CC1.
What is the InChIKey of 1-[[2-(1-methylpiperidin-4-yl)-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is IDGMGNRVVZERNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-23-10-7-15(8-11-23)25-16(13-24-12-9-17(26)21-19(24)27)20-18(22-25)14-5-3-2-4-6-14/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,21,26,27).
What are the key properties of 1-[[2-(1-methylpiperidin-4-yl)-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione?
1-[[2-(1-methylpiperidin-4-yl)-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 366.43 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-methylpiperidin-4-yl)-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 72856627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).