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

C17H20N6O2 — CID 50971197

IUPAC5-methyl-1-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione
SMILESCc1cn(Cc2nc(CC(C)C)nn2-c2ccccn2)c(=O)[nH]c1=O
InChIInChI=1S/C17H20N6O2/c1-11(2)8-13-19-15(23(21-13)14-6-4-5-7-18-14)10-22-9-12(3)16(24)20-17(22)25/h4-7,9,11H,8,10H2,1-3H3,(H,20,24,25)
InChIKeyNSLSCMMQMMKTMZ-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.07
Rot. Bonds5

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

5-methyl-1-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione (PubChem CID 50971197) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 5-methyl-1-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione
PubChem CID50971197
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name5-methyl-1-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione
SMILESCc1cn(Cc2nc(CC(C)C)nn2-c2ccccn2)c(=O)[nH]c1=O
InChIInChI=1S/C17H20N6O2/c1-11(2)8-13-19-15(23(21-13)14-6-4-5-7-18-14)10-22-9-12(3)16(24)20-17(22)25/h4-7,9,11H,8,10H2,1-3H3,(H,20,24,25)
InChIKeyNSLSCMMQMMKTMZ-UHFFFAOYSA-N
XLogP1.07
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-1-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione (CID 50971197) is 5-methyl-1-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione is Cc1cn(Cc2nc(CC(C)C)nn2-c2ccccn2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is NSLSCMMQMMKTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11(2)8-13-19-15(23(21-13)14-6-4-5-7-18-14)10-22-9-12(3)16(24)20-17(22)25/h4-7,9,11H,8,10H2,1-3H3,(H,20,24,25).
What are the key properties of 5-methyl-1-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione?
5-methyl-1-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 340.39 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 50971197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).