3-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]pyrazine-2-carboxamide

C13H10N6O2 — CID 167744736

IUPAC3-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1ccc(-c2ncon2)cc1
InChIInChI=1S/C13H10N6O2/c14-11-10(15-5-6-16-11)13(20)18-9-3-1-8(2-4-9)12-17-7-21-19-12/h1-7H,(H2,14,16)(H,18,20)
InChIKeyAMBBGVPZMQNANQ-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.36
Rot. Bonds3

About 3-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]pyrazine-2-carboxamide

3-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 167744736) has the molecular formula C13H10N6O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]pyrazine-2-carboxamide
PubChem CID167744736
Molecular FormulaC13H10N6O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name3-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1ccc(-c2ncon2)cc1
InChIInChI=1S/C13H10N6O2/c14-11-10(15-5-6-16-11)13(20)18-9-3-1-8(2-4-9)12-17-7-21-19-12/h1-7H,(H2,14,16)(H,18,20)
InChIKeyAMBBGVPZMQNANQ-UHFFFAOYSA-N
XLogP1.36
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]pyrazine-2-carboxamide (CID 167744736) is 3-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)Nc1ccc(-c2ncon2)cc1.
What is the InChIKey of 3-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is AMBBGVPZMQNANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O2/c14-11-10(15-5-6-16-11)13(20)18-9-3-1-8(2-4-9)12-17-7-21-19-12/h1-7H,(H2,14,16)(H,18,20).
What are the key properties of 3-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]pyrazine-2-carboxamide?
3-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 282.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 167744736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).