3-(pyridazin-3-ylmethylamino)pyrazine-2-carboxylic acid

C10H9N5O2 — CID 106897804

IUPAC3-(pyridazin-3-ylmethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCc1cccnn1
InChIInChI=1S/C10H9N5O2/c16-10(17)8-9(12-5-4-11-8)13-6-7-2-1-3-14-15-7/h1-5H,6H2,(H,12,13)(H,16,17)
InChIKeyHWZGAYXYYVWACI-UHFFFAOYSA-N
MW231.22 g/mol
LogP0.58
Rot. Bonds4

About 3-(pyridazin-3-ylmethylamino)pyrazine-2-carboxylic acid

3-(pyridazin-3-ylmethylamino)pyrazine-2-carboxylic acid (PubChem CID 106897804) has the molecular formula C10H9N5O2 and a molecular weight of 231.22 g/mol. Its IUPAC name is 3-(pyridazin-3-ylmethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(pyridazin-3-ylmethylamino)pyrazine-2-carboxylic acid
PubChem CID106897804
Molecular FormulaC10H9N5O2
Molecular Weight231.22 g/mol
Exact Mass231.08
IUPAC Name3-(pyridazin-3-ylmethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCc1cccnn1
InChIInChI=1S/C10H9N5O2/c16-10(17)8-9(12-5-4-11-8)13-6-7-2-1-3-14-15-7/h1-5H,6H2,(H,12,13)(H,16,17)
InChIKeyHWZGAYXYYVWACI-UHFFFAOYSA-N
XLogP0.58
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid
CID 106897797
3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid
CID 62711849
3-nitro-N-(pyridazin-3-ylmethyl)pyridin-2-amine
CID 106832672
3-(naphthalen-1-ylmethylamino)pyrazine-2-carboxylic acid
CID 62711505
4-methyl-2-(pyridazin-3-ylmethylamino)pyrimidine-5-carboxylic acid
CID 106896468
3-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 62709979
3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine
CID 106896632
3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106896014
3-[(3-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62709440
3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62710099
2-(pyridazin-3-ylmethylamino)quinoline-5-carboxylic acid
CID 106896431
3-[(3-methyl-4-pyridinyl)methylamino]pyrazine-2-carboxylic acid
CID 114701905

Frequently Asked Questions

What is the IUPAC name of 3-(pyridazin-3-ylmethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(pyridazin-3-ylmethylamino)pyrazine-2-carboxylic acid (CID 106897804) is 3-(pyridazin-3-ylmethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(pyridazin-3-ylmethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(pyridazin-3-ylmethylamino)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NCc1cccnn1.
What is the InChIKey of 3-(pyridazin-3-ylmethylamino)pyrazine-2-carboxylic acid?
The InChIKey is HWZGAYXYYVWACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2/c16-10(17)8-9(12-5-4-11-8)13-6-7-2-1-3-14-15-7/h1-5H,6H2,(H,12,13)(H,16,17).
What are the key properties of 3-(pyridazin-3-ylmethylamino)pyrazine-2-carboxylic acid?
3-(pyridazin-3-ylmethylamino)pyrazine-2-carboxylic acid has a molecular weight of 231.22 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridazin-3-ylmethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 106897804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).