ethyl 2-(hydroxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C10H12N4O3 — CID 66490634

IUPACethyl 2-(hydroxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2nc(CO)nn2c1C
InChIInChI=1S/C10H12N4O3/c1-3-17-9(16)7-4-11-10-12-8(5-15)13-14(10)6(7)2/h4,15H,3,5H2,1-2H3
InChIKeyVWYKBQFUAREPKA-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.10
Rot. Bonds3

About ethyl 2-(hydroxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 2-(hydroxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 66490634) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is ethyl 2-(hydroxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(hydroxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID66490634
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Nameethyl 2-(hydroxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2nc(CO)nn2c1C
InChIInChI=1S/C10H12N4O3/c1-3-17-9(16)7-4-11-10-12-8(5-15)13-14(10)6(7)2/h4,15H,3,5H2,1-2H3
InChIKeyVWYKBQFUAREPKA-UHFFFAOYSA-N
XLogP0.10
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 16583864
ethyl 7-amino-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 28740744
ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 57387343
ethyl 7-amino-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 1419083
ethyl 1-[5-(hydroxymethyl)-2-pyridinyl]-5-methylpyrazole-4-carboxylate
CID 86692597
ethyl 5-(hydroxymethyl)-2-methyl-1,2,4-triazole-3-carboxylate
CID 155820989
ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate
CID 45097237
ethyl 2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxylate
CID 4737233
ethyl 1,2,5-trimethylpyrrole-3-carboxylate
CID 2322899
ethyl 7-[(4-fluorophenyl)sulfonylamino]-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 3770734
5-ethoxycarbonyl-4-methylpyrimidin-2-olate
CID 171316032
ethyl 2-iodo-4-methylpyrimidine-5-carboxylate
CID 89308178

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(hydroxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-(hydroxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CID 66490634) is ethyl 2-(hydroxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-(hydroxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-(hydroxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2nc(CO)nn2c1C.
What is the InChIKey of ethyl 2-(hydroxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is VWYKBQFUAREPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-3-17-9(16)7-4-11-10-12-8(5-15)13-14(10)6(7)2/h4,15H,3,5H2,1-2H3.
What are the key properties of ethyl 2-(hydroxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 2-(hydroxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 236.23 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(hydroxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 66490634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).