5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]pyrazine-2-carboxylic acid

C12H13N5O4 — CID 120685485

IUPAC5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCc1noc(CCCNC(=O)c2cnc(C(=O)O)cn2)n1
InChIInChI=1S/C12H13N5O4/c1-7-16-10(21-17-7)3-2-4-13-11(18)8-5-15-9(6-14-8)12(19)20/h5-6H,2-4H2,1H3,(H,13,18)(H,19,20)
InChIKeyFFYXRYMGCQUBBP-UHFFFAOYSA-N
MW291.27 g/mol
LogP0.23
Rot. Bonds6

About 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]pyrazine-2-carboxylic acid

5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685485) has the molecular formula C12H13N5O4 and a molecular weight of 291.27 g/mol. Its IUPAC name is 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685485
Molecular FormulaC12H13N5O4
Molecular Weight291.27 g/mol
Exact Mass291.10
IUPAC Name5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCc1noc(CCCNC(=O)c2cnc(C(=O)O)cn2)n1
InChIInChI=1S/C12H13N5O4/c1-7-16-10(21-17-7)3-2-4-13-11(18)8-5-15-9(6-14-8)12(19)20/h5-6H,2-4H2,1H3,(H,13,18)(H,19,20)
InChIKeyFFYXRYMGCQUBBP-UHFFFAOYSA-N
XLogP0.23
TPSA131.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid
CID 114186390
5-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 114185667
2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106422051
4,6-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 110204993
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106414702
5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 81316418
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975923
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide
CID 167811511
3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103892309
5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 114186501
methyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate
CID 114186375
5-methyl-N-[6-[(5-methylpyrazine-2-carbonyl)amino]hexyl]pyrazine-2-carboxamide
CID 4963664

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]pyrazine-2-carboxylic acid (CID 120685485) is 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]pyrazine-2-carboxylic acid is Cc1noc(CCCNC(=O)c2cnc(C(=O)O)cn2)n1.
What is the InChIKey of 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is FFYXRYMGCQUBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O4/c1-7-16-10(21-17-7)3-2-4-13-11(18)8-5-15-9(6-14-8)12(19)20/h5-6H,2-4H2,1H3,(H,13,18)(H,19,20).
What are the key properties of 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]pyrazine-2-carboxylic acid?
5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 291.27 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).