6-amino-5-propan-2-ylpyrazine-2-carboxylic acid

C8H11N3O2 — CID 130118794

IUPAC6-amino-5-propan-2-ylpyrazine-2-carboxylic acid
SMILESCC(C)c1ncc(C(=O)O)nc1N
InChIInChI=1S/C8H11N3O2/c1-4(2)6-7(9)11-5(3-10-6)8(12)13/h3-4H,1-2H3,(H2,9,11)(H,12,13)
InChIKeyLELDWRLPTRVRCM-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.88
Rot. Bonds2

About 6-amino-5-propan-2-ylpyrazine-2-carboxylic acid

6-amino-5-propan-2-ylpyrazine-2-carboxylic acid (PubChem CID 130118794) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 6-amino-5-propan-2-ylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-propan-2-ylpyrazine-2-carboxylic acid
PubChem CID130118794
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name6-amino-5-propan-2-ylpyrazine-2-carboxylic acid
SMILESCC(C)c1ncc(C(=O)O)nc1N
InChIInChI=1S/C8H11N3O2/c1-4(2)6-7(9)11-5(3-10-6)8(12)13/h3-4H,1-2H3,(H2,9,11)(H,12,13)
InChIKeyLELDWRLPTRVRCM-UHFFFAOYSA-N
XLogP0.88
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-di(propan-2-yl)pyrazine-2-carboxylic acid
CID 22493535
6-propan-2-ylpyrazine-2-carboxylic acid
CID 59618308
5-[(4-fluorophenyl)methylamino]-6-propan-2-ylpyrazine-2-carboxylic acid
CID 177322894
3-bromo-2-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxylic acid
CID 117272684
methyl 3-amino-6-chloro-5-propan-2-ylpyrazine-2-carboxylate
CID 58333443
pyrazine-2,6-dicarboxylic acid
CID 11601391
5-amino-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
CID 151499726
6-amino-5-propan-2-ylpyrimidine-4-carboxylic acid
CID 84657835
5-[methyl(propan-2-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684747
6-(2-methylpropoxy)pyrazine-2-carboxylic acid
CID 66456877
propan-2-yl 5-amino-6-methylpyrazine-2-carboxylate
CID 133057217
4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylic acid
CID 116640823

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-propan-2-ylpyrazine-2-carboxylic acid?
The IUPAC name of 6-amino-5-propan-2-ylpyrazine-2-carboxylic acid (CID 130118794) is 6-amino-5-propan-2-ylpyrazine-2-carboxylic acid.
What is the SMILES notation for 6-amino-5-propan-2-ylpyrazine-2-carboxylic acid?
The canonical SMILES for 6-amino-5-propan-2-ylpyrazine-2-carboxylic acid is CC(C)c1ncc(C(=O)O)nc1N.
What is the InChIKey of 6-amino-5-propan-2-ylpyrazine-2-carboxylic acid?
The InChIKey is LELDWRLPTRVRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4(2)6-7(9)11-5(3-10-6)8(12)13/h3-4H,1-2H3,(H2,9,11)(H,12,13).
What are the key properties of 6-amino-5-propan-2-ylpyrazine-2-carboxylic acid?
6-amino-5-propan-2-ylpyrazine-2-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-propan-2-ylpyrazine-2-carboxylic acid is sourced from PubChem (CID 130118794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).