6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

C10H12N4O3 — CID 163508717

IUPAC6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCCCn1c(=O)c(C)cn2nc(C(=O)O)nc12
InChIInChI=1S/C10H12N4O3/c1-3-4-13-8(15)6(2)5-14-10(13)11-7(12-14)9(16)17/h5H,3-4H2,1-2H3,(H,16,17)
InChIKeyDAVGSRTXYNAFDI-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.31
Rot. Bonds3

About 6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 163508717) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID163508717
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCCCn1c(=O)c(C)cn2nc(C(=O)O)nc12
InChIInChI=1S/C10H12N4O3/c1-3-4-13-8(15)6(2)5-14-10(13)11-7(12-14)9(16)17/h5H,3-4H2,1-2H3,(H,16,17)
InChIKeyDAVGSRTXYNAFDI-UHFFFAOYSA-N
XLogP0.31
TPSA89.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 139682447
2-(dimethylamino)-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 139682450
2-amino-4-butyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 130154781
2-amino-6-butyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 139682448
1-(4-fluoro-3-methylphenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid
CID 62812225
(E)-3-(4,6-dimethyl-2-oxo-1-propyl-3-pyridinyl)prop-2-enoic acid
CID 82525989
3,7-dimethyl-1-propylindole-5-carboxylic acid
CID 83945963
2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid
CID 82525356
1-(2,5-dichloro-4-methylphenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid
CID 104727978
1,3-dimethyl-2,6-dioxo-9-propylpurine-8-carboxylic acid
CID 82463758
7-fluoro-1-oxo-2-propylisoquinoline-3-carboxylic acid
CID 172904081
1-(2-methylphenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid
CID 43652629

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 163508717) is 6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid is CCCn1c(=O)c(C)cn2nc(C(=O)O)nc12.
What is the InChIKey of 6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is DAVGSRTXYNAFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-3-4-13-8(15)6(2)5-14-10(13)11-7(12-14)9(16)17/h5H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 163508717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).