5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carboxylic acid

C12H13N3O4 — CID 122054001

IUPAC5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carboxylic acid
SMILESCC(O)(CNc1cnc(C(=O)O)cn1)c1ccco1
InChIInChI=1S/C12H13N3O4/c1-12(18,9-3-2-4-19-9)7-15-10-6-13-8(5-14-10)11(16)17/h2-6,18H,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyHXMKVZRWFVJCKP-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.09
Rot. Bonds5

About 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carboxylic acid

5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carboxylic acid (PubChem CID 122054001) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carboxylic acid
PubChem CID122054001
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carboxylic acid
SMILESCC(O)(CNc1cnc(C(=O)O)cn1)c1ccco1
InChIInChI=1S/C12H13N3O4/c1-12(18,9-3-2-4-19-9)7-15-10-6-13-8(5-14-10)11(16)17/h2-6,18H,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyHXMKVZRWFVJCKP-UHFFFAOYSA-N
XLogP1.09
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile
CID 133484221
2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol
CID 133323796
5-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]pyrazine-2-carboxylic acid
CID 122053923
ethyl 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-carboxylate
CID 133323689
6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide
CID 133323846
[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133323844
5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
CID 104765944
N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide
CID 111481899
1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol
CID 133323859
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 71869969

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carboxylic acid (CID 122054001) is 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carboxylic acid is CC(O)(CNc1cnc(C(=O)O)cn1)c1ccco1.
What is the InChIKey of 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is HXMKVZRWFVJCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-12(18,9-3-2-4-19-9)7-15-10-6-13-8(5-14-10)11(16)17/h2-6,18H,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carboxylic acid?
5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122054001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).