1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine

C10H9N7O — CID 61284575

IUPAC1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc(-c3cnccn3)no2)c1
InChIInChI=1S/C10H9N7O/c11-7-3-14-17(5-7)6-9-15-10(16-18-9)8-4-12-1-2-13-8/h1-5H,6,11H2
InChIKeyZNMPTWSWLNXZPC-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.35
Rot. Bonds3

About 1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine

1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine (PubChem CID 61284575) has the molecular formula C10H9N7O and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine
PubChem CID61284575
Molecular FormulaC10H9N7O
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc(-c3cnccn3)no2)c1
InChIInChI=1S/C10H9N7O/c11-7-3-14-17(5-7)6-9-15-10(16-18-9)8-4-12-1-2-13-8/h1-5H,6,11H2
InChIKeyZNMPTWSWLNXZPC-UHFFFAOYSA-N
XLogP0.35
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine (CID 61284575) is 1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine is Nc1cnn(Cc2nc(-c3cnccn3)no2)c1.
What is the InChIKey of 1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine?
The InChIKey is ZNMPTWSWLNXZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7O/c11-7-3-14-17(5-7)6-9-15-10(16-18-9)8-4-12-1-2-13-8/h1-5H,6,11H2.
What are the key properties of 1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine?
1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine has a molecular weight of 243.23 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 61284575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).