3,6-diamino-2-N,5-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide

C12H20N6O6 — CID 24852796

IUPAC3,6-diamino-2-N,5-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide
SMILESNc1nc(C(=O)NCC(O)CO)c(N)nc1C(=O)NCC(O)CO
InChIInChI=1S/C12H20N6O6/c13-9-7(11(23)15-1-5(21)3-19)17-10(14)8(18-9)12(24)16-2-6(22)4-20/h5-6,19-22H,1-4H2,(H2,14,17)(H2,13,18)(H,15,23)(H,16,24)
InChIKeyGVKHKFWEGZGLHJ-UHFFFAOYSA-N
MW344.33 g/mol
LogP-4.19
Rot. Bonds8

About 3,6-diamino-2-N,5-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide

3,6-diamino-2-N,5-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide (PubChem CID 24852796) has the molecular formula C12H20N6O6 and a molecular weight of 344.33 g/mol. Its IUPAC name is 3,6-diamino-2-N,5-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide.

Molecular Properties

Compound Name3,6-diamino-2-N,5-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide
PubChem CID24852796
Molecular FormulaC12H20N6O6
Molecular Weight344.33 g/mol
Exact Mass344.14
IUPAC Name3,6-diamino-2-N,5-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide
SMILESNc1nc(C(=O)NCC(O)CO)c(N)nc1C(=O)NCC(O)CO
InChIInChI=1S/C12H20N6O6/c13-9-7(11(23)15-1-5(21)3-19)17-10(14)8(18-9)12(24)16-2-6(22)4-20/h5-6,19-22H,1-4H2,(H2,14,17)(H2,13,18)(H,15,23)(H,16,24)
InChIKeyGVKHKFWEGZGLHJ-UHFFFAOYSA-N
XLogP-4.19
TPSA216.94 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.33
LogP ≤ 5-4.19
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-2-N,5-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide?
The IUPAC name of 3,6-diamino-2-N,5-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide (CID 24852796) is 3,6-diamino-2-N,5-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide.
What is the SMILES notation for 3,6-diamino-2-N,5-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide?
The canonical SMILES for 3,6-diamino-2-N,5-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide is Nc1nc(C(=O)NCC(O)CO)c(N)nc1C(=O)NCC(O)CO.
What is the InChIKey of 3,6-diamino-2-N,5-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide?
The InChIKey is GVKHKFWEGZGLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O6/c13-9-7(11(23)15-1-5(21)3-19)17-10(14)8(18-9)12(24)16-2-6(22)4-20/h5-6,19-22H,1-4H2,(H2,14,17)(H2,13,18)(H,15,23)(H,16,24).
What are the key properties of 3,6-diamino-2-N,5-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide?
3,6-diamino-2-N,5-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide has a molecular weight of 344.33 g/mol, XLogP of -4.19, 8 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-2-N,5-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide is sourced from PubChem (CID 24852796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).