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

C8H9N3O2 — CID 117102486

IUPAC3-(azetidin-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1N1CCC1
InChIInChI=1S/C8H9N3O2/c12-8(13)6-7(10-3-2-9-6)11-4-1-5-11/h2-3H,1,4-5H2,(H,12,13)
InChIKeyRMBGXYPNDPPFKJ-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.38
Rot. Bonds2

About 3-(azetidin-1-yl)pyrazine-2-carboxylic acid

3-(azetidin-1-yl)pyrazine-2-carboxylic acid (PubChem CID 117102486) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-(azetidin-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(azetidin-1-yl)pyrazine-2-carboxylic acid
PubChem CID117102486
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name3-(azetidin-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1N1CCC1
InChIInChI=1S/C8H9N3O2/c12-8(13)6-7(10-3-2-9-6)11-4-1-5-11/h2-3H,1,4-5H2,(H,12,13)
InChIKeyRMBGXYPNDPPFKJ-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

3-pyrrolidin-1-ylpyrazine-2-carbothioamide
CID 15564003
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 55158995
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazine-2-carboxylic acid
CID 66370533
3-(3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 62702520
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 169205005
palladium;pyrazine-2,3-dicarboxylic acid
CID 174785540
(E)-3-[2-(azetidin-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 130547900
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylic acid
CID 63260102
3-[3-(3,4,5-trifluorophenoxy)azetidin-1-yl]pyrazine-2-carboxylic acid
CID 166023658
3-(1,3-dioxoisoindol-2-yl)pyrazine-2-carboxylic acid
CID 63259830
2-[1-(3-carbamoylpyrazin-2-yl)azetidin-3-yl]acetic acid
CID 64616457

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(azetidin-1-yl)pyrazine-2-carboxylic acid (CID 117102486) is 3-(azetidin-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(azetidin-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(azetidin-1-yl)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1N1CCC1.
What is the InChIKey of 3-(azetidin-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is RMBGXYPNDPPFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c12-8(13)6-7(10-3-2-9-6)11-4-1-5-11/h2-3H,1,4-5H2,(H,12,13).
What are the key properties of 3-(azetidin-1-yl)pyrazine-2-carboxylic acid?
3-(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 3-(azetidin-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 117102486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).