3-methyl-5-(triazol-1-yl)pyrazine-2-carboxylic acid

C8H7N5O2 — CID 174867391

IUPAC3-methyl-5-(triazol-1-yl)pyrazine-2-carboxylic acid
SMILESCc1nc(-n2ccnn2)cnc1C(=O)O
InChIInChI=1S/C8H7N5O2/c1-5-7(8(14)15)9-4-6(11-5)13-3-2-10-12-13/h2-4H,1H3,(H,14,15)
InChIKeyABOHVHXENOPRRZ-UHFFFAOYSA-N
MW205.18 g/mol
LogP0.06
Rot. Bonds2

About 3-methyl-5-(triazol-1-yl)pyrazine-2-carboxylic acid

3-methyl-5-(triazol-1-yl)pyrazine-2-carboxylic acid (PubChem CID 174867391) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is 3-methyl-5-(triazol-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(triazol-1-yl)pyrazine-2-carboxylic acid
PubChem CID174867391
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name3-methyl-5-(triazol-1-yl)pyrazine-2-carboxylic acid
SMILESCc1nc(-n2ccnn2)cnc1C(=O)O
InChIInChI=1S/C8H7N5O2/c1-5-7(8(14)15)9-4-6(11-5)13-3-2-10-12-13/h2-4H,1H3,(H,14,15)
InChIKeyABOHVHXENOPRRZ-UHFFFAOYSA-N
XLogP0.06
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(triazol-1-yl)pyrazine-2-carboxylate
CID 58449150
2-methyl-5-(triazol-1-yl)benzoic acid
CID 84671343
3-methyl-4-(triazol-1-yl)quinoline-2-carboxamide
CID 69177404
3-(triazol-1-yl)pyridine-4-carboxylic acid
CID 84662416
7-[1-methyl-7-(triazol-1-yl)imidazo[1,5-c]pyrimidin-3-yl]-1-phenylheptan-1-one
CID 164667947
3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride
CID 70617975
6-methyl-1,2,4-triazine-5-carboxylic acid
CID 83635324
4-methylpyrrolo[1,2-a]pyrazine-3-carboxylic acid
CID 117272695
6-(triazol-1-yl)pyridin-3-amine
CID 16776099
2,6-dimethyl-4-(triazol-1-yl)pyridine
CID 89493479
3-ethyl-4-(triazol-1-yl)benzoic acid
CID 84682606
6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid
CID 59603606

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(triazol-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(triazol-1-yl)pyrazine-2-carboxylic acid (CID 174867391) is 3-methyl-5-(triazol-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(triazol-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(triazol-1-yl)pyrazine-2-carboxylic acid is Cc1nc(-n2ccnn2)cnc1C(=O)O.
What is the InChIKey of 3-methyl-5-(triazol-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is ABOHVHXENOPRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c1-5-7(8(14)15)9-4-6(11-5)13-3-2-10-12-13/h2-4H,1H3,(H,14,15).
What are the key properties of 3-methyl-5-(triazol-1-yl)pyrazine-2-carboxylic acid?
3-methyl-5-(triazol-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 205.18 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(triazol-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 174867391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).