6-methyl-1,2,4-triazine-5-carboxylic acid

C5H5N3O2 — CID 83635324

IUPAC6-methyl-1,2,4-triazine-5-carboxylic acid
SMILESCc1nncnc1C(=O)O
InChIInChI=1S/C5H5N3O2/c1-3-4(5(9)10)6-2-7-8-3/h2H,1H3,(H,9,10)
InChIKeyPZAFAEAVHLVVDR-UHFFFAOYSA-N
MW139.11 g/mol
LogP-0.12
Rot. Bonds1

About 6-methyl-1,2,4-triazine-5-carboxylic acid

6-methyl-1,2,4-triazine-5-carboxylic acid (PubChem CID 83635324) has the molecular formula C5H5N3O2 and a molecular weight of 139.11 g/mol. Its IUPAC name is 6-methyl-1,2,4-triazine-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1,2,4-triazine-5-carboxylic acid
PubChem CID83635324
Molecular FormulaC5H5N3O2
Molecular Weight139.11 g/mol
Exact Mass139.04
IUPAC Name6-methyl-1,2,4-triazine-5-carboxylic acid
SMILESCc1nncnc1C(=O)O
InChIInChI=1S/C5H5N3O2/c1-3-4(5(9)10)6-2-7-8-3/h2H,1H3,(H,9,10)
InChIKeyPZAFAEAVHLVVDR-UHFFFAOYSA-N
XLogP-0.12
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methylpyrimidine-4,5-dicarboxylic acid
CID 90696614
3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride
CID 70617975
ethane;4-methylpyridazine-3-carboxylic acid
CID 166146805
6-[3,6-diamino-5-(4-carboxyphenyl)pyrazin-2-yl]-1,2,4-triazine-5-carboxylic acid
CID 118591965
8-methylquinazoline-4-carboxylic acid
CID 124706584
5-bromopyrimidine-4-carboxylic acid
CID 21329200
palladium;pyrazine-2,3-dicarboxylic acid
CID 174785540
3-methyl-5-(triazol-1-yl)pyrazine-2-carboxylic acid
CID 174867391
5-methyl-1-pyrimidin-5-yltriazole-4-carboxylic acid
CID 107588961
3,5-dimethylpyridine-2-carboxylic acid
CID 15426890
6-amino-5-propan-2-ylpyrimidine-4-carboxylic acid
CID 84657835
4-iodo-3,5-dimethylpyridine-2,6-dicarboxylic acid
CID 137422664

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,4-triazine-5-carboxylic acid?
The IUPAC name of 6-methyl-1,2,4-triazine-5-carboxylic acid (CID 83635324) is 6-methyl-1,2,4-triazine-5-carboxylic acid.
What is the SMILES notation for 6-methyl-1,2,4-triazine-5-carboxylic acid?
The canonical SMILES for 6-methyl-1,2,4-triazine-5-carboxylic acid is Cc1nncnc1C(=O)O.
What is the InChIKey of 6-methyl-1,2,4-triazine-5-carboxylic acid?
The InChIKey is PZAFAEAVHLVVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O2/c1-3-4(5(9)10)6-2-7-8-3/h2H,1H3,(H,9,10).
What are the key properties of 6-methyl-1,2,4-triazine-5-carboxylic acid?
6-methyl-1,2,4-triazine-5-carboxylic acid has a molecular weight of 139.11 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,4-triazine-5-carboxylic acid is sourced from PubChem (CID 83635324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).