3,5-bis(propylamino)pyrazine-2,6-dicarboxylic acid

C12H18N4O4 — CID 172763701

IUPAC3,5-bis(propylamino)pyrazine-2,6-dicarboxylic acid
SMILESCCCNc1nc(NCCC)c(C(=O)O)nc1C(=O)O
InChIInChI=1S/C12H18N4O4/c1-3-5-13-9-7(11(17)18)15-8(12(19)20)10(16-9)14-6-4-2/h3-6H2,1-2H3,(H,17,18)(H,19,20)(H2,13,14,16)
InChIKeyMALQPBYXJDDMHH-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.52
Rot. Bonds8

About 3,5-bis(propylamino)pyrazine-2,6-dicarboxylic acid

3,5-bis(propylamino)pyrazine-2,6-dicarboxylic acid (PubChem CID 172763701) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3,5-bis(propylamino)pyrazine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name3,5-bis(propylamino)pyrazine-2,6-dicarboxylic acid
PubChem CID172763701
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name3,5-bis(propylamino)pyrazine-2,6-dicarboxylic acid
SMILESCCCNc1nc(NCCC)c(C(=O)O)nc1C(=O)O
InChIInChI=1S/C12H18N4O4/c1-3-5-13-9-7(11(17)18)15-8(12(19)20)10(16-9)14-6-4-2/h3-6H2,1-2H3,(H,17,18)(H,19,20)(H2,13,14,16)
InChIKeyMALQPBYXJDDMHH-UHFFFAOYSA-N
XLogP1.52
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-Amino-5,6-dimethylpyrazine-2-carboxylic acid
CID 222764
6-(Ethylamino)pyrazine-2-carboxylic acid
CID 14500876
3,6-diaminopyrazine-2,5-dicarboxylic Acid
CID 11127226
3-(Propan-2-ylamino)pyrazine-2-carboxylic acid
CID 62710090
5-(Ethylamino)pyrazine-2-carboxylic acid
CID 64271678
3-Amino-5-(isopropylamino)pyrazine-2-carboxylic acid
CID 68817225
3-Amino-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid
CID 89443019
3-Amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid
CID 89443770
3-Amino-5-(2,2-difluoroethylamino)-6-(2-trimethylsilylethynyl)pyrazine-2-carboxylic acid
CID 141341478
3-(Propylamino)pyrazine-2-carboxylic acid
CID 62709751
3-(2-Methylpropylamino)pyrazine-2-carboxylic acid
CID 62709757
3-(Butylamino)pyrazine-2-carboxylic acid
CID 62711466

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(propylamino)pyrazine-2,6-dicarboxylic acid?
The IUPAC name of 3,5-bis(propylamino)pyrazine-2,6-dicarboxylic acid (CID 172763701) is 3,5-bis(propylamino)pyrazine-2,6-dicarboxylic acid.
What is the SMILES notation for 3,5-bis(propylamino)pyrazine-2,6-dicarboxylic acid?
The canonical SMILES for 3,5-bis(propylamino)pyrazine-2,6-dicarboxylic acid is CCCNc1nc(NCCC)c(C(=O)O)nc1C(=O)O.
What is the InChIKey of 3,5-bis(propylamino)pyrazine-2,6-dicarboxylic acid?
The InChIKey is MALQPBYXJDDMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-3-5-13-9-7(11(17)18)15-8(12(19)20)10(16-9)14-6-4-2/h3-6H2,1-2H3,(H,17,18)(H,19,20)(H2,13,14,16).
What are the key properties of 3,5-bis(propylamino)pyrazine-2,6-dicarboxylic acid?
3,5-bis(propylamino)pyrazine-2,6-dicarboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 1.52, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(propylamino)pyrazine-2,6-dicarboxylic acid is sourced from PubChem (CID 172763701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).