5-[3-(oxolan-3-ylmethoxy)propylamino]pyrazine-2-carboxylic acid

C13H19N3O4 — CID 122053930

IUPAC5-[3-(oxolan-3-ylmethoxy)propylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCCCOCC2CCOC2)cn1
InChIInChI=1S/C13H19N3O4/c17-13(18)11-6-16-12(7-15-11)14-3-1-4-19-8-10-2-5-20-9-10/h6-7,10H,1-5,8-9H2,(H,14,16)(H,17,18)
InChIKeyIRDFIQRBHAEUSE-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.03
Rot. Bonds8

About 5-[3-(oxolan-3-ylmethoxy)propylamino]pyrazine-2-carboxylic acid

5-[3-(oxolan-3-ylmethoxy)propylamino]pyrazine-2-carboxylic acid (PubChem CID 122053930) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-[3-(oxolan-3-ylmethoxy)propylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(oxolan-3-ylmethoxy)propylamino]pyrazine-2-carboxylic acid
PubChem CID122053930
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name5-[3-(oxolan-3-ylmethoxy)propylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCCCOCC2CCOC2)cn1
InChIInChI=1S/C13H19N3O4/c17-13(18)11-6-16-12(7-15-11)14-3-1-4-19-8-10-2-5-20-9-10/h6-7,10H,1-5,8-9H2,(H,14,16)(H,17,18)
InChIKeyIRDFIQRBHAEUSE-UHFFFAOYSA-N
XLogP1.03
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid
CID 122053882
5-[3-(oxolan-3-yloxy)propylcarbamoyl]pyrazine-2-carboxylic acid
CID 120689125
5-[4-(2-phenylethoxy)butylamino]pyrazine-2-carboxylic acid
CID 122047825
5-[2-(3,3-difluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid
CID 122058141
5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid
CID 106136489
2-[3-[[(3S)-oxolan-3-yl]methoxy]propylamino]-3H-quinazolin-4-one
CID 136764296
5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid
CID 166243247
3-(oxolan-3-ylmethoxy)pyrazine-2-carboxylic acid
CID 62703281
5-(7-methyloctylamino)pyrazine-2-carboxylic acid
CID 107815534
5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid
CID 115490926
1-ethyl-2-[3-(oxolan-3-ylmethoxy)propyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111646364
5-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109276207

Frequently Asked Questions

What is the IUPAC name of 5-[3-(oxolan-3-ylmethoxy)propylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[3-(oxolan-3-ylmethoxy)propylamino]pyrazine-2-carboxylic acid (CID 122053930) is 5-[3-(oxolan-3-ylmethoxy)propylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[3-(oxolan-3-ylmethoxy)propylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[3-(oxolan-3-ylmethoxy)propylamino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NCCCOCC2CCOC2)cn1.
What is the InChIKey of 5-[3-(oxolan-3-ylmethoxy)propylamino]pyrazine-2-carboxylic acid?
The InChIKey is IRDFIQRBHAEUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c17-13(18)11-6-16-12(7-15-11)14-3-1-4-19-8-10-2-5-20-9-10/h6-7,10H,1-5,8-9H2,(H,14,16)(H,17,18).
What are the key properties of 5-[3-(oxolan-3-ylmethoxy)propylamino]pyrazine-2-carboxylic acid?
5-[3-(oxolan-3-ylmethoxy)propylamino]pyrazine-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(oxolan-3-ylmethoxy)propylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122053930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).