5-(azetidin-1-yl)pyrazine-2-carboxylic acid

C8H9N3O2 — CID 117102504

IUPAC5-(azetidin-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC2)cn1
InChIInChI=1S/C8H9N3O2/c12-8(13)6-4-10-7(5-9-6)11-2-1-3-11/h4-5H,1-3H2,(H,12,13)
InChIKeyPPLUUAUZJFHFAD-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.38
Rot. Bonds2

About 5-(azetidin-1-yl)pyrazine-2-carboxylic acid

5-(azetidin-1-yl)pyrazine-2-carboxylic acid (PubChem CID 117102504) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 5-(azetidin-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(azetidin-1-yl)pyrazine-2-carboxylic acid
PubChem CID117102504
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name5-(azetidin-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC2)cn1
InChIInChI=1S/C8H9N3O2/c12-8(13)6-4-10-7(5-9-6)11-2-1-3-11/h4-5H,1-3H2,(H,12,13)
InChIKeyPPLUUAUZJFHFAD-UHFFFAOYSA-N
XLogP0.38
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122047688
5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrazine-2-carboxylic acid
CID 122057284
5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053202
5-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid
CID 122057108
5-[4-(2,4,4-trimethylpentan-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122058042
5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 122052353
N-cyclopropyl-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109271555
lithium;methyl 5-chloropyrazine-2-carboxylate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate;5-piperidin-1-ylpyrazine-2-carboxylic acid;hydroxide;hydrate
CID 163715404
5-[3-(azepan-1-ylmethyl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122053599
5-[3-(2-methylpropyl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122048917
5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyrazine-2-carboxylic acid
CID 122057709

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(azetidin-1-yl)pyrazine-2-carboxylic acid (CID 117102504) is 5-(azetidin-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(azetidin-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(azetidin-1-yl)pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCC2)cn1.
What is the InChIKey of 5-(azetidin-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is PPLUUAUZJFHFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c12-8(13)6-4-10-7(5-9-6)11-2-1-3-11/h4-5H,1-3H2,(H,12,13).
What are the key properties of 5-(azetidin-1-yl)pyrazine-2-carboxylic acid?
5-(azetidin-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 179.18 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 117102504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).