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

C11H12N4O2S — CID 64575921

IUPAC5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCn3cnnc3C2)s1
InChIInChI=1S/C11H12N4O2S/c16-11(17)9-2-1-8(18-9)5-14-3-4-15-7-12-13-10(15)6-14/h1-2,7H,3-6H2,(H,16,17)
InChIKeyQHPYEZKJCSBKRR-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.05
Rot. Bonds3

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

5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid (PubChem CID 64575921) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid
PubChem CID64575921
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCn3cnnc3C2)s1
InChIInChI=1S/C11H12N4O2S/c16-11(17)9-2-1-8(18-9)5-14-3-4-15-7-12-13-10(15)6-14/h1-2,7H,3-6H2,(H,16,17)
InChIKeyQHPYEZKJCSBKRR-UHFFFAOYSA-N
XLogP1.05
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid with MolForge

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Related Compounds

5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid
CID 55183628
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-3-carboxylic acid
CID 64575928
N-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557018
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-one
CID 64577447
5-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carboxylic acid
CID 63378241
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-fluorobenzoic acid
CID 107119520
2-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)pyrazol-1-yl]benzoic acid
CID 110097516
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-phenylethanone
CID 64575367
[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)phenyl]methanamine
CID 64575255
5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophene-2-carboxylic acid
CID 63378316
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-piperazin-1-ylethanone
CID 64576669
5-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]thiophene-2-carboxylic acid
CID 63377774

Frequently Asked Questions

What is the IUPAC name of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid (CID 64575921) is 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(CN2CCn3cnnc3C2)s1.
What is the InChIKey of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid?
The InChIKey is QHPYEZKJCSBKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c16-11(17)9-2-1-8(18-9)5-14-3-4-15-7-12-13-10(15)6-14/h1-2,7H,3-6H2,(H,16,17).
What are the key properties of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid?
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid has a molecular weight of 264.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 64575921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).