5-(3-amino-6-butylpyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine

C16H18N6O — CID 122194083

IUPAC5-(3-amino-6-butylpyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine
SMILESCCCCc1cnc(N)c(-c2nc(Nc3ccccc3)no2)n1
InChIInChI=1S/C16H18N6O/c1-2-3-7-12-10-18-14(17)13(19-12)15-21-16(22-23-15)20-11-8-5-4-6-9-11/h4-6,8-10H,2-3,7H2,1H3,(H2,17,18)(H,20,22)
InChIKeyBKMLNRLDTVVIBU-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.19
Rot. Bonds6

About 5-(3-amino-6-butylpyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine

5-(3-amino-6-butylpyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine (PubChem CID 122194083) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-(3-amino-6-butylpyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(3-amino-6-butylpyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine
PubChem CID122194083
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name5-(3-amino-6-butylpyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine
SMILESCCCCc1cnc(N)c(-c2nc(Nc3ccccc3)no2)n1
InChIInChI=1S/C16H18N6O/c1-2-3-7-12-10-18-14(17)13(19-12)15-21-16(22-23-15)20-11-8-5-4-6-9-11/h4-6,8-10H,2-3,7H2,1H3,(H2,17,18)(H,20,22)
InChIKeyBKMLNRLDTVVIBU-UHFFFAOYSA-N
XLogP3.19
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-6-butylpyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(3-amino-6-butylpyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine (CID 122194083) is 5-(3-amino-6-butylpyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(3-amino-6-butylpyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(3-amino-6-butylpyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine is CCCCc1cnc(N)c(-c2nc(Nc3ccccc3)no2)n1.
What is the InChIKey of 5-(3-amino-6-butylpyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine?
The InChIKey is BKMLNRLDTVVIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-2-3-7-12-10-18-14(17)13(19-12)15-21-16(22-23-15)20-11-8-5-4-6-9-11/h4-6,8-10H,2-3,7H2,1H3,(H2,17,18)(H,20,22).
What are the key properties of 5-(3-amino-6-butylpyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine?
5-(3-amino-6-butylpyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine has a molecular weight of 310.36 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-6-butylpyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 122194083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).