1-(2-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(3-methylphenyl)urea

C16H18N6O2 — CID 50795019

IUPAC1-(2-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(3-methylphenyl)urea
SMILESCCc1nc2nc(C)c(NC(=O)Nc3cccc(C)c3)c(=O)n2[nH]1
InChIInChI=1S/C16H18N6O2/c1-4-12-19-15-17-10(3)13(14(23)22(15)21-12)20-16(24)18-11-7-5-6-9(2)8-11/h5-8H,4H2,1-3H3,(H,17,19,21)(H2,18,20,24)
InChIKeyYILCUPFPYQRSFW-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.24
Rot. Bonds3

About 1-(2-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(3-methylphenyl)urea

1-(2-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(3-methylphenyl)urea (PubChem CID 50795019) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-(2-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(3-methylphenyl)urea
PubChem CID50795019
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name1-(2-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(3-methylphenyl)urea
SMILESCCc1nc2nc(C)c(NC(=O)Nc3cccc(C)c3)c(=O)n2[nH]1
InChIInChI=1S/C16H18N6O2/c1-4-12-19-15-17-10(3)13(14(23)22(15)21-12)20-16(24)18-11-7-5-6-9(2)8-11/h5-8H,4H2,1-3H3,(H,17,19,21)(H2,18,20,24)
InChIKeyYILCUPFPYQRSFW-UHFFFAOYSA-N
XLogP2.24
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(2-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(3-methylphenyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-(5-ethyl-2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(3-methylphenyl)urea
CID 131842016
1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(3-methylsulfanylphenyl)urea
CID 22434129
1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(4-methylphenyl)urea
CID 22433690
1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3-methylphenyl)urea
CID 122303627
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(4-chlorophenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea
CID 20959185
1-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-3-(3-methylphenyl)urea
CID 50823365
1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 6468393
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
1-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenyl)urea
CID 166636712
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide
CID 114584182

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(2-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(3-methylphenyl)urea (CID 50795019) is 1-(2-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(2-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(2-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(3-methylphenyl)urea is CCc1nc2nc(C)c(NC(=O)Nc3cccc(C)c3)c(=O)n2[nH]1.
What is the InChIKey of 1-(2-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(3-methylphenyl)urea?
The InChIKey is YILCUPFPYQRSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-4-12-19-15-17-10(3)13(14(23)22(15)21-12)20-16(24)18-11-7-5-6-9(2)8-11/h5-8H,4H2,1-3H3,(H,17,19,21)(H2,18,20,24).
What are the key properties of 1-(2-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(3-methylphenyl)urea?
1-(2-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(3-methylphenyl)urea has a molecular weight of 326.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 50795019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).