3,6-bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid;ethane

C14H24N4O8 — CID 143255811

IUPAC3,6-bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid;ethane
SMILESCC.O=C(O)c1nc(NCC(O)CO)c(C(=O)O)nc1NCC(O)CO
InChIInChI=1S/C12H18N4O8.C2H6/c17-3-5(19)1-13-9-7(11(21)22)16-10(8(15-9)12(23)24)14-2-6(20)4-18;1-2/h5-6,17-20H,1-4H2,(H,13,15)(H,14,16)(H,21,22)(H,23,24);1-2H3
InChIKeySEXSDTZARQSELJ-UHFFFAOYSA-N
MW376.37 g/mol
LogP-1.57
Rot. Bonds10

About 3,6-bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid;ethane

3,6-bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid;ethane (PubChem CID 143255811) has the molecular formula C14H24N4O8 and a molecular weight of 376.37 g/mol. Its IUPAC name is 3,6-bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid;ethane.

Molecular Properties

Compound Name3,6-bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid;ethane
PubChem CID143255811
Molecular FormulaC14H24N4O8
Molecular Weight376.37 g/mol
Exact Mass376.16
IUPAC Name3,6-bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid;ethane
SMILESCC.O=C(O)c1nc(NCC(O)CO)c(C(=O)O)nc1NCC(O)CO
InChIInChI=1S/C12H18N4O8.C2H6/c17-3-5(19)1-13-9-7(11(21)22)16-10(8(15-9)12(23)24)14-2-6(20)4-18;1-2/h5-6,17-20H,1-4H2,(H,13,15)(H,14,16)(H,21,22)(H,23,24);1-2H3
InChIKeySEXSDTZARQSELJ-UHFFFAOYSA-N
XLogP-1.57
TPSA205.36 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.37
LogP ≤ 5-1.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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Related Compounds

(2R)-2-[[5-[[(1R)-1-carboxy-2-hydroxyethyl]carbamoyl]-3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2-carbonyl]amino]-3-hydroxypropanoic acid
CID 53386760
2-N,5-N-bis(2,3-dihydroxypropyl)-3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide
CID 53389124
2-N,5-N-bis(2,3-dihydroxypropyl)-3,6-bis[[(2R)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide
CID 53386759
3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide
CID 53389123
3,6-Bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid
CID 11508473
3,6-Bis[bis(2-hydroxyethyl)amino]pyrazine-2,5-dicarboxylic acid
CID 11646466
3-Amino-6-chloro-5-(ethylamino)pyrazine-2-carboxylic acid
CID 12319182
3-Amino-6-chloro-5-[(1-methylethyl)amino]-2-pyrazinecarboxylic acid
CID 22000384
3,6-Di(piperazin-1-yl)pyrazine-2,5-dicarboxylic acid
CID 24860790
Diethyl 3,6-bis(2-methoxyethylamino)pyrazine-2,5-dicarboxylate
CID 59146554
3,5-Di(piperazin-1-yl)pyrazine-2,6-dicarboxylic acid
CID 67369836
3-(Azetidin-1-yl)-6-(diethylamino)pyrazine-2,5-dicarboxylic acid
CID 67978994

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid;ethane?
The IUPAC name of 3,6-bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid;ethane (CID 143255811) is 3,6-bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid;ethane.
What is the SMILES notation for 3,6-bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid;ethane?
The canonical SMILES for 3,6-bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid;ethane is CC.O=C(O)c1nc(NCC(O)CO)c(C(=O)O)nc1NCC(O)CO.
What is the InChIKey of 3,6-bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid;ethane?
The InChIKey is SEXSDTZARQSELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O8.C2H6/c17-3-5(19)1-13-9-7(11(21)22)16-10(8(15-9)12(23)24)14-2-6(20)4-18;1-2/h5-6,17-20H,1-4H2,(H,13,15)(H,14,16)(H,21,22)(H,23,24);1-2H3.
What are the key properties of 3,6-bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid;ethane?
3,6-bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid;ethane has a molecular weight of 376.37 g/mol, XLogP of -1.57, 10 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid;ethane is sourced from PubChem (CID 143255811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).