6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methylpyridine-3-carboxylic acid

C12H13N5O2 — CID 80630877

IUPAC6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N1CCn2cnnc2C1
InChIInChI=1S/C12H13N5O2/c1-8-4-9(12(18)19)5-13-11(8)16-2-3-17-7-14-15-10(17)6-16/h4-5,7H,2-3,6H2,1H3,(H,18,19)
InChIKeyUMDAPOSXGHKGFY-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.70
Rot. Bonds2

About 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methylpyridine-3-carboxylic acid

6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methylpyridine-3-carboxylic acid (PubChem CID 80630877) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methylpyridine-3-carboxylic acid
PubChem CID80630877
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N1CCn2cnnc2C1
InChIInChI=1S/C12H13N5O2/c1-8-4-9(12(18)19)5-13-11(8)16-2-3-17-7-14-15-10(17)6-16/h4-5,7H,2-3,6H2,1H3,(H,18,19)
InChIKeyUMDAPOSXGHKGFY-UHFFFAOYSA-N
XLogP0.70
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methylpyridine-3-carboxylic acid (CID 80630877) is 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methylpyridine-3-carboxylic acid is Cc1cc(C(=O)O)cnc1N1CCn2cnnc2C1.
What is the InChIKey of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methylpyridine-3-carboxylic acid?
The InChIKey is UMDAPOSXGHKGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-8-4-9(12(18)19)5-13-11(8)16-2-3-17-7-14-15-10(17)6-16/h4-5,7H,2-3,6H2,1H3,(H,18,19).
What are the key properties of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methylpyridine-3-carboxylic acid?
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methylpyridine-3-carboxylic acid has a molecular weight of 259.27 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 80630877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).