6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylic acid

C14H24N4O2 — CID 102994014

IUPAC6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylic acid
SMILESCCN(CC)CCCN(CC)c1cncc(C(=O)O)n1
InChIInChI=1S/C14H24N4O2/c1-4-17(5-2)8-7-9-18(6-3)13-11-15-10-12(16-13)14(19)20/h10-11H,4-9H2,1-3H3,(H,19,20)
InChIKeyUROLBWMIKABAAV-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.73
Rot. Bonds9

About 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylic acid

6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylic acid (PubChem CID 102994014) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylic acid
PubChem CID102994014
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylic acid
SMILESCCN(CC)CCCN(CC)c1cncc(C(=O)O)n1
InChIInChI=1S/C14H24N4O2/c1-4-17(5-2)8-7-9-18(6-3)13-11-15-10-12(16-13)14(19)20/h10-11H,4-9H2,1-3H3,(H,19,20)
InChIKeyUROLBWMIKABAAV-UHFFFAOYSA-N
XLogP1.73
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylate
CID 102994007
2-N-[3-(diethylamino)propyl]-2-N-ethylpyrazine-2,6-diamine
CID 102998767
6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid
CID 66456063
6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid
CID 102994003
6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 66456851
6-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 66457647
6-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxylic acid
CID 66456627
methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate
CID 114900602
2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 102994032
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid
CID 107480405
methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate
CID 79390457
6-[benzyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid
CID 66450502

Frequently Asked Questions

What is the IUPAC name of 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylic acid (CID 102994014) is 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylic acid is CCN(CC)CCCN(CC)c1cncc(C(=O)O)n1.
What is the InChIKey of 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is UROLBWMIKABAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-17(5-2)8-7-9-18(6-3)13-11-15-10-12(16-13)14(19)20/h10-11H,4-9H2,1-3H3,(H,19,20).
What are the key properties of 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylic acid?
6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 102994014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).