2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

C8H8N4O2 — CID 17035894

IUPAC2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1nc2nc(C)c(C(=O)O)cn2n1
InChIInChI=1S/C8H8N4O2/c1-4-6(7(13)14)3-12-8(9-4)10-5(2)11-12/h3H,1-2H3,(H,13,14)
InChIKeyOXZSYTYCUIOKFD-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.44
Rot. Bonds1

About 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 17035894) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID17035894
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1nc2nc(C)c(C(=O)O)cn2n1
InChIInChI=1S/C8H8N4O2/c1-4-6(7(13)14)3-12-8(9-4)10-5(2)11-12/h3H,1-2H3,(H,13,14)
InChIKeyOXZSYTYCUIOKFD-UHFFFAOYSA-N
XLogP0.44
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,7-Dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 2736303
7-Methyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 668033
Ethyl 3-cyano-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 698967
Ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2736420
6-Acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 2981519
2-Methylpyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 23091947
2,4-Dimethylpyrimidine-5-carboxylic acid
CID 6487595
Ethyl 3-cyano-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 699040
5,7-Dimethylpyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 71757511
2-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 3159636
Ethyl 6-bromo-2-methylpyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 13425204
7-Methylpyrazolo(1,5-a)pyrimidine-3-carboxylic acid
CID 24688453

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 17035894) is 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1nc2nc(C)c(C(=O)O)cn2n1.
What is the InChIKey of 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is OXZSYTYCUIOKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-4-6(7(13)14)3-12-8(9-4)10-5(2)11-12/h3H,1-2H3,(H,13,14).
What are the key properties of 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 192.18 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 17035894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).