3,5-diamino-6-chloropyrazine-2-carboxylic acid

C5H5ClN4O2 — CID 6452119

IUPAC3,5-diamino-6-chloropyrazine-2-carboxylic acid
SMILESNc1nc(N)c(C(=O)O)nc1Cl
InChIInChI=1S/C5H5ClN4O2/c6-2-4(8)10-3(7)1(9-2)5(11)12/h(H,11,12)(H4,7,8,10)
InChIKeyOCSQJDAUOOHJEI-UHFFFAOYSA-N
MW188.57 g/mol
LogP-0.01
Rot. Bonds1

About 3,5-diamino-6-chloropyrazine-2-carboxylic acid

3,5-diamino-6-chloropyrazine-2-carboxylic acid (PubChem CID 6452119) has the molecular formula C5H5ClN4O2 and a molecular weight of 188.57 g/mol. Its IUPAC name is 3,5-diamino-6-chloropyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3,5-diamino-6-chloropyrazine-2-carboxylic acid
PubChem CID6452119
Molecular FormulaC5H5ClN4O2
Molecular Weight188.57 g/mol
Exact Mass188.01
IUPAC Name3,5-diamino-6-chloropyrazine-2-carboxylic acid
SMILESNc1nc(N)c(C(=O)O)nc1Cl
InChIInChI=1S/C5H5ClN4O2/c6-2-4(8)10-3(7)1(9-2)5(11)12/h(H,11,12)(H4,7,8,10)
InChIKeyOCSQJDAUOOHJEI-UHFFFAOYSA-N
XLogP-0.01
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.57
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloropyrazine-2-carboxylic acid?
The IUPAC name of 3,5-diamino-6-chloropyrazine-2-carboxylic acid (CID 6452119) is 3,5-diamino-6-chloropyrazine-2-carboxylic acid.
What is the SMILES notation for 3,5-diamino-6-chloropyrazine-2-carboxylic acid?
The canonical SMILES for 3,5-diamino-6-chloropyrazine-2-carboxylic acid is Nc1nc(N)c(C(=O)O)nc1Cl.
What is the InChIKey of 3,5-diamino-6-chloropyrazine-2-carboxylic acid?
The InChIKey is OCSQJDAUOOHJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN4O2/c6-2-4(8)10-3(7)1(9-2)5(11)12/h(H,11,12)(H4,7,8,10).
What are the key properties of 3,5-diamino-6-chloropyrazine-2-carboxylic acid?
3,5-diamino-6-chloropyrazine-2-carboxylic acid has a molecular weight of 188.57 g/mol, XLogP of -0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloropyrazine-2-carboxylic acid is sourced from PubChem (CID 6452119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).