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

C13H17N5O3 — CID 134708193

IUPAC5-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrazine-2-carboxylic acid
SMILESCCN(Cc1nc(C(C)C)no1)c1cnc(C(=O)O)cn1
InChIInChI=1S/C13H17N5O3/c1-4-18(7-11-16-12(8(2)3)17-21-11)10-6-14-9(5-15-10)13(19)20/h5-6,8H,4,7H2,1-3H3,(H,19,20)
InChIKeyPDNGXMXRLFYPOA-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.71
Rot. Bonds6

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

5-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrazine-2-carboxylic acid (PubChem CID 134708193) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrazine-2-carboxylic acid
PubChem CID134708193
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name5-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrazine-2-carboxylic acid
SMILESCCN(Cc1nc(C(C)C)no1)c1cnc(C(=O)O)cn1
InChIInChI=1S/C13H17N5O3/c1-4-18(7-11-16-12(8(2)3)17-21-11)10-6-14-9(5-15-10)13(19)20/h5-6,8H,4,7H2,1-3H3,(H,19,20)
InChIKeyPDNGXMXRLFYPOA-UHFFFAOYSA-N
XLogP1.71
TPSA105.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrazine-2-carboxylic acid (CID 134708193) is 5-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrazine-2-carboxylic acid is CCN(Cc1nc(C(C)C)no1)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is PDNGXMXRLFYPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-4-18(7-11-16-12(8(2)3)17-21-11)10-6-14-9(5-15-10)13(19)20/h5-6,8H,4,7H2,1-3H3,(H,19,20).
What are the key properties of 5-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrazine-2-carboxylic acid?
5-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 134708193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).